CID 10632640

(1-bromo-2,2-difluoroethenyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.95427 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96155 138.3
[M+Na]+ 240.94349 149.3
[M-H]- 216.94699 142.1
[M+NH4]+ 235.98809 160.1
[M+K]+ 256.91743 138.0
[M+H-H2O]+ 200.95153 137.3
[M+HCOO]- 262.95247 156.9
[M+CH3COO]- 276.96812 184.5
[M+Na-2H]- 238.92894 144.2
[M]+ 217.95372 152.3
[M]- 217.95482 152.3
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

No patent data available for this compound.