CID 59129830

2,2,3,3,4,4,4-heptafluorobutyl 2-chloroprop-2-enoate

Structural Information

Molecular Formula
C7H4ClF7O2
SMILES
C=C(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C7H4ClF7O2/c1-3(8)4(16)17-2-5(9,10)6(11,12)7(13,14)15/h1-2H2
InChIKey
SNTQAKVWVGWLDU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

287.9788 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98608 145.0
[M+Na]+ 310.96802 154.5
[M-H]- 286.97152 137.1
[M+NH4]+ 306.01262 161.2
[M+K]+ 326.94196 150.9
[M+H-H2O]+ 270.97606 136.6
[M+HCOO]- 332.97700 151.2
[M+CH3COO]- 346.99265 197.5
[M+Na-2H]- 308.95347 147.8
[M]+ 287.97825 138.0
[M]- 287.97935 138.0
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