CID 69613

1-chloro-1,1,2,2,3-pentafluoropropane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

683
Patents

167.97652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98380 120.7
[M+Na]+ 190.96574 130.9
[M-H]- 166.96924 115.1
[M+NH4]+ 186.01034 141.9
[M+K]+ 206.93968 128.0
[M+H-H2O]+ 150.97378 114.1
[M+HCOO]- 212.97472 132.6
[M+CH3COO]- 226.99037 177.2
[M+Na-2H]- 188.95119 127.5
[M]+ 167.97597 115.2
[M]- 167.97707 115.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe