CID 54734966

(z)-4-[2-(4-fluorophenyl)pyrrol-1-yl]-2-hydroxy-4-oxo-but-2-enoic acid; platinum(2+)

Structural Information

Molecular Formula
C14H10FNO4
SMILES
C1=CN(C(=C1)C2=CC=C(C=C2)F)C(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C14H10FNO4/c15-10-5-3-9(4-6-10)11-2-1-7-16(11)13(18)8-12(17)14(19)20/h1-8,17H,(H,19,20)/b12-8-
InChIKey
GIIHUVLCNBFGJI-WQLSENKSSA-N
Compound name
(Z)-4-[2-(4-fluorophenyl)pyrrol-1-yl]-2-hydroxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0594 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06668 158.7
[M+Na]+ 298.04862 166.0
[M-H]- 274.05212 160.7
[M+NH4]+ 293.09322 173.5
[M+K]+ 314.02256 162.1
[M+H-H2O]+ 258.05666 150.9
[M+HCOO]- 320.05760 177.0
[M+CH3COO]- 334.07325 191.7
[M+Na-2H]- 296.03407 158.0
[M]+ 275.05885 156.7
[M]- 275.05995 156.7
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.