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

6858
Patents

117.97971 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.98699 111.6
[M+Na]+ 140.96893 121.8
[M-H]- 116.97243 108.6
[M+NH4]+ 136.01353 135.1
[M+K]+ 156.94287 119.7
[M+H-H2O]+ 100.97697 106.7
[M+HCOO]- 162.97791 127.5
[M+CH3COO]- 176.99356 167.2
[M+Na-2H]- 138.95438 119.5
[M]+ 117.97916 108.9
[M]- 117.98026 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.