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
6
Annotation Hits

28
References

6342
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

literature stripe

Patent stripe

patents stripe