CID 115050095

1897839-30-3

Structural Information

Molecular Formula

C₁₂H₇BrF₂

SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)F)Br)F

InChI

InChI=1S/C12H7BrF2/c13-11-7-9(3-6-12(11)15)8-1-4-10(14)5-2-8/h1-7H

InChIKey

DZPGYIVIXOGPRF-UHFFFAOYSA-N

Compound name

2-bromo-1-fluoro-4-(4-fluorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.9699 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

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]+	268.97718	149.5
[M+Na]+	290.95912	162.7
[M-H]-	266.96262	156.9
[M+NH4]+	286.00372	170.0
[M+K]+	306.93306	150.2
[M+H-H2O]+	250.96716	147.8
[M+HCOO]-	312.96810	170.0
[M+CH3COO]-	326.98375	194.6
[M+Na-2H]-	288.94457	156.0
[M]+	267.96935	165.6
[M]-	267.97045	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe