CID 581436

3,4-difluorobenzyl bromide

Structural Information

Molecular Formula
C7H5BrF2
SMILES
C1=CC(=C(C=C1CBr)F)F
InChI
InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
JJIFTOPVKWDHJI-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2455
Patents

205.95427 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96155 132.3
[M+Na]+ 228.94349 145.6
[M-H]- 204.94699 136.8
[M+NH4]+ 223.98809 155.3
[M+K]+ 244.91743 134.4
[M+H-H2O]+ 188.95153 131.7
[M+HCOO]- 250.95247 153.0
[M+CH3COO]- 264.96812 183.7
[M+Na-2H]- 226.92894 139.9
[M]+ 205.95372 148.6
[M]- 205.95482 148.6
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