CID 640459

(bromodifluoromethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

205.95427 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96155 134.8
[M+Na]+ 228.94349 146.8
[M-H]- 204.94699 138.8
[M+NH4]+ 223.98809 157.3
[M+K]+ 244.91743 135.9
[M+H-H2O]+ 188.95153 134.3
[M+HCOO]- 250.95247 153.9
[M+CH3COO]- 264.96812 181.9
[M+Na-2H]- 226.92894 144.0
[M]+ 205.95372 149.9
[M]- 205.95482 149.9
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