PubChemLite - 1819362-10-1 (C55H32FN5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)F)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

InChI

InChI=1S/C55H32FN5/c56-51-52(58-43-25-9-1-17-34(43)35-18-2-10-26-44(35)58)42(33-57)53(59-45-27-11-3-19-36(45)37-20-4-12-28-46(37)59)55(61-49-31-15-7-23-40(49)41-24-8-16-32-50(41)61)54(51)60-47-29-13-5-21-38(47)39-22-6-14-30-48(39)60/h1-32H

InChIKey

XDDKMOYYCNAGOF-UHFFFAOYSA-N

Compound name

2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	782.27144	257.3
[M+Na]+	804.25338	270.6
[M-H]-	780.25688	268.2
[M+NH4]+	799.29798	258.1
[M+K]+	820.22732	250.1
[M+H-H2O]+	764.26142	237.1
[M+HCOO]-	826.26236	265.0
[M+CH3COO]-	840.27801	258.9
[M+Na-2H]-	802.23883	248.9
[M]+	781.26361	257.8
[M]-	781.26471	257.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

782.27144

257.3

[M+Na]+

804.25338

270.6

[M-H]-

780.25688

268.2

[M+NH4]+

799.29798

258.1

[M+K]+

820.22732

250.1

[M+H-H2O]+

764.26142

237.1

[M+HCOO]-

826.26236

265.0

[M+CH3COO]-

840.27801

258.9

[M+Na-2H]-

802.23883

248.9

[M]+

781.26361

257.8

[M]-

781.26471

257.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1819362-10-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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