CID 61193

1,2-dichlorohexafluoropropane

Structural Information

Molecular Formula
C3Cl2F6
SMILES
C(C(F)(F)F)(C(F)(F)Cl)(F)Cl
InChI
InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11
InChIKey
JSEUKVSKOHVLOV-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1965
Patents

219.92813 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93541 127.0
[M+Na]+ 242.91735 138.0
[M-H]- 218.92085 120.2
[M+NH4]+ 237.96195 146.5
[M+K]+ 258.89129 133.4
[M+H-H2O]+ 202.92539 120.6
[M+HCOO]- 264.92633 131.6
[M+CH3COO]- 278.94198 184.8
[M+Na-2H]- 240.90280 133.5
[M]+ 219.92758 120.7
[M]- 219.92868 120.7
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