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
3
Annotation Hits

0
References

276
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 126.9
[M+Na]+ 242.91735 137.8
[M-H]- 218.92085 120.0
[M+NH4]+ 237.96195 146.3
[M+K]+ 258.89129 133.2
[M+H-H2O]+ 202.92539 120.4
[M+HCOO]- 264.92633 131.4
[M+CH3COO]- 278.94198 185.5
[M+Na-2H]- 240.90280 133.3
[M]+ 219.92758 120.6
[M]- 219.92868 120.6
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