Fluotracene (C21H24F3N)

Structural Information

Molecular Formula

SMILES

C[C@H]1C2=C(C=C(C=C2)C(F)(F)F)[C@H](C3=CC=CC=C13)CCCN(C)C

InChI

InChI=1S/C21H24F3N/c1-14-16-7-4-5-8-18(16)19(9-6-12-25(2)3)20-13-15(21(22,23)24)10-11-17(14)20/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3/t14-,19+/m1/s1

InChIKey

JTAJFHGSVCEPKC-KUHUBIRLSA-N

Compound name

N,N-dimethyl-3-[(9S,10R)-10-methyl-2-(trifluoromethyl)-9,10-dihydroanthracen-9-yl]propan-1-amine

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]+	348.193376	184.5
[M+Na]+	370.175318	192.0
[M-H]-	346.178824	186.6
[M+NH4]+	365.219923	200.6
[M+K]+	386.149258	186.3
[M+H-H2O]+	330.183360	173.9
[M+HCOO]-	392.184301	199.5
[M+CH3COO]-	406.199951	223.4
[M+Na-2H]-	368.160766	186.8
[M]+	347.18555142	182.5
[M]-	347.18664858	182.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

348.193376

184.5

[M+Na]+

370.175318

192.0

[M-H]-

346.178824

186.6

[M+NH4]+

365.219923

200.6

[M+K]+

386.149258

186.3

[M+H-H2O]+

330.183360

173.9

[M+HCOO]-

392.184301

199.5

[M+CH3COO]-

406.199951

223.4

[M+Na-2H]-

368.160766

186.8

[M]+

347.18555142

182.5

[M]-

347.18664858

182.5

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

Fluotracene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe