CID 139596205

Mdpflca n=1

Structural Information

Molecular Formula
C6HF7O2
SMILES
C(=C(/C(C(=O)O)(F)F)\F)(\C(=C(F)F)F)/F
InChI
InChI=1S/C6HF7O2/c7-1(2(8)4(10)11)3(9)6(12,13)5(14)15/h(H,14,15)/b3-1+
InChIKey
NFAWEQJNMWPTMC-HNQUOIGGSA-N
Compound name
(3E)-2,2,3,4,5,6,6-heptafluorohexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

237.98648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99376 137.0
[M+Na]+ 260.97570 144.5
[M-H]- 236.97920 127.2
[M+NH4]+ 256.02030 153.1
[M+K]+ 276.94964 142.3
[M+H-H2O]+ 220.98374 127.3
[M+HCOO]- 282.98468 146.6
[M+CH3COO]- 297.00033 189.1
[M+Na-2H]- 258.96115 134.3
[M]+ 237.98593 124.2
[M]- 237.98703 124.2
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.