CID 522830

2,5-difluorobenzyl bromide

Structural Information

Molecular Formula
C7H5BrF2
SMILES
C1=CC(=C(C=C1F)CBr)F
InChI
InChI=1S/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey
ONWGSWNHQZYCFK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1239
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.