CID 316418

[bromo(fluoro)methyl]benzene

Structural Information

Molecular Formula
C7H6BrF
SMILES
C1=CC=C(C=C1)C(F)Br
InChI
InChI=1S/C7H6BrF/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
AVPMRIWGOGRNBF-UHFFFAOYSA-N
Compound name
[bromo(fluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

703
Patents

187.96368 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.970956 130.5
[M+Na]+ 210.952898 141.8
[M-H]- 186.956404 135.7
[M+NH4]+ 205.997503 153.7
[M+K]+ 226.926838 131.5
[M+H-H2O]+ 170.960940 130.6
[M+HCOO]- 232.961881 151.3
[M+CH3COO]- 246.977531 179.8
[M+Na-2H]- 208.938346 138.9
[M]+ 187.96313142 146.7
[M]- 187.96422858 146.7
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