CID 22913822

4-bromo-beta,beta-difluorostyrene (stabilized with tbc)

Structural Information

Molecular Formula
C8H5BrF2
SMILES
C1=CC(=CC=C1C=C(F)F)Br
InChI
InChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKey
LXJISEJYMAHRKE-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-difluoroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

217.95427 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96155 136.9
[M+Na]+ 240.94349 149.0
[M-H]- 216.94699 141.0
[M+NH4]+ 235.98809 159.1
[M+K]+ 256.91743 137.4
[M+H-H2O]+ 200.95153 136.0
[M+HCOO]- 262.95247 156.5
[M+CH3COO]- 276.96812 184.7
[M+Na-2H]- 238.92894 143.4
[M]+ 217.95372 151.8
[M]- 217.95482 151.8
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