CID 9635

1,1,1-trichlorotrifluoroethane

Structural Information

Molecular Formula
C2Cl3F3
SMILES
C(C(Cl)(Cl)Cl)(F)(F)F
InChI
InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8
InChIKey
BOSAWIQFTJIYIS-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2,2,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

21094
Patents

185.90176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.90904 127.1
[M+Na]+ 208.89098 136.2
[M+NH4]+ 203.93558 133.6
[M+K]+ 224.86492 131.8
[M-H]- 184.89448 122.0
[M+Na-2H]- 206.87643 130.7
[M]+ 185.90121 127.5
[M]- 185.90231 127.5
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