CID 12963

1-bromo-1-chloro-2,2-difluoroethene

Structural Information

Molecular Formula
C2BrClF2
SMILES
C(=C(Cl)Br)(F)F
InChI
InChI=1S/C2BrClF2/c3-1(4)2(5)6
InChIKey
NBYWEYFBDHRDOS-UHFFFAOYSA-N
Compound name
1-bromo-1-chloro-2,2-difluoroethene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

39
Patents

175.884 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.89128 121.4
[M+Na]+ 198.87322 134.7
[M-H]- 174.87672 122.6
[M+NH4]+ 193.91782 145.8
[M+K]+ 214.84716 122.8
[M+H-H2O]+ 158.88126 122.4
[M+HCOO]- 220.88220 136.0
[M+CH3COO]- 234.89785 175.8
[M+Na-2H]- 196.85867 127.8
[M]+ 175.88345 136.9
[M]- 175.88455 136.9
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