CID 510803

1h-pyrrole-2-butanoic acid, 1-(4-fluorophenyl)-a,g-dioxo-

Structural Information

Molecular Formula
C14H10FNO4
SMILES
C1=CN(C(=C1)C(=O)CC(=O)C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H10FNO4/c15-9-3-5-10(6-4-9)16-7-1-2-11(16)12(17)8-13(18)14(19)20/h1-7H,8H2,(H,19,20)
InChIKey
WZGQQAHTTLSDHV-UHFFFAOYSA-N
Compound name
4-[1-(4-fluorophenyl)pyrrol-2-yl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0594 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06668 157.7
[M+Na]+ 298.04862 165.2
[M-H]- 274.05212 160.9
[M+NH4]+ 293.09322 173.0
[M+K]+ 314.02256 162.1
[M+H-H2O]+ 258.05666 149.5
[M+HCOO]- 320.05760 177.4
[M+CH3COO]- 334.07325 195.4
[M+Na-2H]- 296.03407 157.4
[M]+ 275.05885 157.6
[M]- 275.05995 157.6
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.