CID 9631

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

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

3
References

2524
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 115.7
[M+Na]+ 174.92995 125.9
[M-H]- 150.93345 112.1
[M+NH4]+ 169.97455 138.0
[M+K]+ 190.90389 122.4
[M+H-H2O]+ 134.93799 111.6
[M+HCOO]- 196.93893 125.6
[M+CH3COO]- 210.95458 173.7
[M+Na-2H]- 172.91540 121.7
[M]+ 151.94018 113.4
[M]- 151.94128 113.4
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