CID 2761183

1-bromo-4-(difluoromethyl)benzene

Structural Information

Molecular Formula
C7H5BrF2
SMILES
C1=CC(=CC=C1C(F)F)Br
InChI
InChI=1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
InChIKey
HUSPSWKWFREKSS-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

417
Patents

205.95427 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96155 133.7
[M+Na]+ 228.94349 145.9
[M-H]- 204.94699 137.9
[M+NH4]+ 223.98809 156.3
[M+K]+ 244.91743 135.0
[M+H-H2O]+ 188.95153 132.9
[M+HCOO]- 250.95247 153.4
[M+CH3COO]- 264.96812 183.4
[M+Na-2H]- 226.92894 140.7
[M]+ 205.95372 149.0
[M]- 205.95482 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe