CID 3562

Halothane

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

14496
References

41655
Patents

195.89021 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.89749 126.7
[M+Na]+ 218.87943 140.4
[M-H]- 194.88293 126.8
[M+NH4]+ 213.92403 150.5
[M+K]+ 234.85337 128.6
[M+H-H2O]+ 178.88747 127.1
[M+HCOO]- 240.88841 139.6
[M+CH3COO]- 254.90406 178.9
[M+Na-2H]- 216.86488 134.1
[M]+ 195.88966 141.8
[M]- 195.89076 141.8
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.