CID 9628

1-bromo-2-chloro-1,1,2-trifluoroethane

Structural Information

Molecular Formula
C2HBrClF3
SMILES
C(C(F)(F)Br)(F)Cl
InChI
InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H
InChIKey
KFTODZKBBUMDQB-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-1,1,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

107
Patents

195.89021 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.89749 126.6
[M+Na]+ 218.87943 140.2
[M-H]- 194.88293 126.7
[M+NH4]+ 213.92403 150.3
[M+K]+ 234.85337 128.4
[M+H-H2O]+ 178.88747 126.9
[M+HCOO]- 240.88841 139.5
[M+CH3COO]- 254.90406 179.5
[M+Na-2H]- 216.86488 133.9
[M]+ 195.88966 141.7
[M]- 195.89076 141.7
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