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]+ 188.97096 130.5
[M+Na]+ 210.95290 141.8
[M-H]- 186.95640 135.7
[M+NH4]+ 205.99750 153.7
[M+K]+ 226.92684 131.5
[M+H-H2O]+ 170.96094 130.6
[M+HCOO]- 232.96188 151.3
[M+CH3COO]- 246.97753 179.8
[M+Na-2H]- 208.93835 138.9
[M]+ 187.96313 146.7
[M]- 187.96423 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.