CID 68031

1-chloro-1,1,3,3,3-pentafluoropropane

Structural Information

Molecular Formula
C3H2ClF5
SMILES
C(C(F)(F)F)C(F)(F)Cl
InChI
InChI=1S/C3H2ClF5/c4-2(5,6)1-3(7,8)9/h1H2
InChIKey
LLJWABOOFANACB-UHFFFAOYSA-N
Compound name
1-chloro-1,1,3,3,3-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

858
Patents

167.97652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98380 120.9
[M+Na]+ 190.96574 131.2
[M-H]- 166.96924 115.3
[M+NH4]+ 186.01034 142.2
[M+K]+ 206.93968 128.3
[M+H-H2O]+ 150.97378 114.3
[M+HCOO]- 212.97472 132.7
[M+CH3COO]- 226.99037 176.6
[M+Na-2H]- 188.95119 127.7
[M]+ 167.97597 115.3
[M]- 167.97707 115.3
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

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