CID 53395613

Perfluoro-4-methylpent-2-enoyl chloride

Structural Information

Molecular Formula
C6ClF9O
SMILES
C(=C(C(C(F)(F)F)(C(F)(F)F)F)F)(C(=O)Cl)F
InChI
InChI=1S/C6ClF9O/c7-3(17)1(8)2(9)4(10,5(11,12)13)6(14,15)16
InChIKey
PYVIQEVVGYYAJJ-UHFFFAOYSA-N
Compound name
2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

293.9494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.95668 141.5
[M+Na]+ 316.93862 151.4
[M-H]- 292.94212 131.4
[M+NH4]+ 311.98322 157.2
[M+K]+ 332.91256 147.2
[M+H-H2O]+ 276.94666 131.8
[M+HCOO]- 338.94760 144.9
[M+CH3COO]- 352.96325 198.8
[M+Na-2H]- 314.92407 142.4
[M]+ 293.94885 129.3
[M]- 293.94995 129.3
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

No patent data available for this compound.