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

26706
Patents

151.94073 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.94801 115.8
[M+Na]+ 174.92995 126.1
[M-H]- 150.93345 112.3
[M+NH4]+ 169.97455 138.2
[M+K]+ 190.90389 122.7
[M+H-H2O]+ 134.93799 111.8
[M+HCOO]- 196.93893 125.8
[M+CH3COO]- 210.95458 173.0
[M+Na-2H]- 172.91540 121.9
[M]+ 151.94018 113.5
[M]- 151.94128 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.