CID 67912

Pentafluoropropionyl fluoride

Structural Information

Molecular Formula
C3F6O
SMILES
C(=O)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C3F6O/c4-1(10)2(5,6)3(7,8)9
InChIKey
YLCLKCNTDGWDMD-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

876
Patents

165.98534 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.992616 120.9
[M+Na]+ 188.974558 130.5
[M-H]- 164.978064 114.2
[M+NH4]+ 184.019163 141.1
[M+K]+ 204.948498 129.7
[M+H-H2O]+ 148.982600 112.6
[M+HCOO]- 210.983541 135.5
[M+CH3COO]- 224.999191 177.4
[M+Na-2H]- 186.960006 126.2
[M]+ 165.98479142 112.1
[M]- 165.98588858 112.1
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