CID 9894

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

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

628
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 122.6
[M+Na]+ 208.95632 132.8
[M-H]- 184.95982 116.0
[M+NH4]+ 204.00092 143.2
[M+K]+ 224.93026 130.0
[M+H-H2O]+ 168.96436 115.3
[M+HCOO]- 230.96530 132.6
[M+CH3COO]- 244.98095 179.7
[M+Na-2H]- 206.94177 127.7
[M]+ 185.96655 115.1
[M]- 185.96765 115.1
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