PubChemLite - 865758-37-8 (C30H20ClF17O)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C30H20ClF17O/c1-49-21-13-11-20(12-14-21)23(31,18-5-3-2-4-6-18)19-9-7-17(8-10-19)15-16-22(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)30(46,47)48/h2-14H,15-16H2,1H3

InChIKey

FSYYFUVFEYRUHN-UHFFFAOYSA-N

Compound name

1-[chloro-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-phenylmethyl]-4-methoxybenzene

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]+	755.10042	260.1
[M+Na]+	777.08236	268.1
[M-H]-	753.08586	251.1
[M+NH4]+	772.12696	257.7
[M+K]+	793.05630	259.2
[M+H-H2O]+	737.09040	239.0
[M+HCOO]-	799.09134	246.3
[M+CH3COO]-	813.10699	274.5
[M+Na-2H]-	775.06781	260.6
[M]+	754.09259	240.1
[M]-	754.09369	240.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

755.10042

260.1

[M+Na]+

777.08236

268.1

[M-H]-

753.08586

251.1

[M+NH4]+

772.12696

257.7

[M+K]+

793.05630

259.2

[M+H-H2O]+

737.09040

239.0

[M+HCOO]-

799.09134

246.3

[M+CH3COO]-

813.10699

274.5

[M+Na-2H]-

775.06781

260.6

[M]+

754.09259

240.1

[M]-

754.09369

240.1

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

865758-37-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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