CID 67675

4-bromo-1,2-difluorobenzene

Structural Information

Molecular Formula
C6H3BrF2
SMILES
C1=CC(=C(C=C1Br)F)F
InChI
InChI=1S/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
YMQPKONILWWJQG-UHFFFAOYSA-N
Compound name
4-bromo-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2057
Patents

191.93861 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94589 127.5
[M+Na]+ 214.92783 141.3
[M-H]- 190.93133 132.2
[M+NH4]+ 209.97243 151.1
[M+K]+ 230.90177 130.3
[M+H-H2O]+ 174.93587 127.1
[M+HCOO]- 236.93681 148.5
[M+CH3COO]- 250.95246 180.8
[M+Na-2H]- 212.91328 135.7
[M]+ 191.93806 143.5
[M]- 191.93916 143.5
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.