CID 2776807

243139-64-2

Structural Information

Molecular Formula
C6H3F7O2
SMILES
C(=CC(C(F)(F)F)(C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C6H3F7O2/c7-4(5(8,9)10,6(11,12)13)2-1-3(14)15/h1-2H,(H,14,15)
InChIKey
PRHNILJSRYVRAY-UHFFFAOYSA-N
Compound name
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

240.00212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.009396 139.4
[M+Na]+ 262.991338 148.3
[M-H]- 238.994844 130.0
[M+NH4]+ 258.035943 156.0
[M+K]+ 278.965278 145.8
[M+H-H2O]+ 222.999380 130.5
[M+HCOO]- 285.000321 149.5
[M+CH3COO]- 299.015971 186.8
[M+Na-2H]- 260.976786 143.2
[M]+ 240.00157142 128.4
[M]- 240.00266858 128.4
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