CID 67910

1-chloro-1,1,2,2,3,3-hexafluoropropane

Structural Information

Molecular Formula
C3HClF6
SMILES
C(C(C(F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C3HClF6/c4-3(9,10)2(7,8)1(5)6/h1H
InChIKey
AYAIRPGAABBRLY-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

433
Patents

185.9671 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97438 122.4
[M+Na]+ 208.95632 132.4
[M-H]- 184.95982 115.6
[M+NH4]+ 204.00092 142.7
[M+K]+ 224.93026 129.5
[M+H-H2O]+ 168.96436 114.9
[M+HCOO]- 230.96530 132.2
[M+CH3COO]- 244.98095 181.0
[M+Na-2H]- 206.94177 127.4
[M]+ 185.96655 115.0
[M]- 185.96765 115.0
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