CID 67911

Pentafluoropropionyl chloride

Structural Information

Molecular Formula
C3ClF5O
SMILES
C(=O)(C(C(F)(F)F)(F)F)Cl
InChI
InChI=1S/C3ClF5O/c4-1(10)2(5,6)3(7,8)9
InChIKey
SHMNLEQWIMKCQA-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

181.95578 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.96306 144.5
[M+Na]+ 204.94500 149.8
[M+NH4]+ 199.98960 147.7
[M+K]+ 220.91894 146.6
[M-H]- 180.94850 136.6
[M+Na-2H]- 202.93045 144.6
[M]+ 181.95523 142.8
[M]- 181.95633 142.8
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