CID 9385

2,2-dichloro-1,1,1-trifluoroethane

Structural Information

Molecular Formula
C2HCl2F3
SMILES
C(C(F)(F)F)(Cl)Cl
InChI
InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
InChIKey
OHMHBGPWCHTMQE-UHFFFAOYSA-N
Compound name
2,2-dichloro-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

46
References

26792
Patents

151.94073 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.948006 115.8
[M+Na]+ 174.929948 126.1
[M-H]- 150.933454 112.3
[M+NH4]+ 169.974553 138.2
[M+K]+ 190.903888 122.7
[M+H-H2O]+ 134.937990 111.8
[M+HCOO]- 196.938931 125.8
[M+CH3COO]- 210.954581 173.0
[M+Na-2H]- 172.915396 121.9
[M]+ 151.94018142 113.5
[M]- 151.94127858 113.5
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