CID 69580

662-01-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

209
Patents

219.92813 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93541 155.8
[M+Na]+ 242.91735 160.3
[M+NH4]+ 237.96195 158.4
[M+K]+ 258.89129 156.9
[M-H]- 218.92085 147.7
[M+Na-2H]- 240.90280 155.6
[M]+ 219.92758 154.2
[M]- 219.92868 154.2
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