CID 2769675

1-bromo-3-(difluoromethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
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

No literature data available for this compound.

Patent stripe

patents stripe