CID 6408

2-chloro-1,1,1-trifluoroethane

Structural Information

Molecular Formula
C2H2ClF3
SMILES
C(C(F)(F)F)Cl
InChI
InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
InChIKey
CYXIKYKBLDZZNW-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

28
References

6890
Patents

117.97971 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.986986 111.6
[M+Na]+ 140.968928 121.8
[M-H]- 116.972434 108.6
[M+NH4]+ 136.013533 135.1
[M+K]+ 156.942868 119.7
[M+H-H2O]+ 100.976970 106.7
[M+HCOO]- 162.977911 127.5
[M+CH3COO]- 176.993561 167.2
[M+Na-2H]- 138.954376 119.5
[M]+ 117.97916142 108.9
[M]- 117.98025858 108.9
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