CID 139594597

Mdpflca n=2

Structural Information

Molecular Formula
C7HF9O2
SMILES
C(=C(/C(C(C(=O)O)(F)F)(F)F)\F)(\C(=C(F)F)F)/F
InChI
InChI=1S/C7HF9O2/c8-1(2(9)4(11)12)3(10)6(13,14)7(15,16)5(17)18/h(H,17,18)/b3-1+
InChIKey
CQIIYWMFQDMPDK-HNQUOIGGSA-N
Compound name
(4E)-2,2,3,3,4,5,6,7,7-nonafluorohepta-4,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

287.98328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99056 145.4
[M+Na]+ 310.97250 153.1
[M-H]- 286.97600 133.3
[M+NH4]+ 306.01710 159.3
[M+K]+ 326.94644 150.3
[M+H-H2O]+ 270.98054 134.4
[M+HCOO]- 332.98148 151.1
[M+CH3COO]- 346.99713 198.4
[M+Na-2H]- 308.95795 142.2
[M]+ 287.98273 129.6
[M]- 287.98383 129.6
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.