CID 459344

O-(phenyloxamyl)benzoic acid

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H11NO4/c17-13(11-8-4-5-9-12(11)15(19)20)14(18)16-10-6-2-1-3-7-10/h1-9H,(H,16,18)(H,19,20)
InChIKey
MFPBLHATOHBVTC-UHFFFAOYSA-N
Compound name
2-(2-anilino-2-oxoacetyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 158.4
[M+Na]+ 292.05804 163.9
[M-H]- 268.06154 163.8
[M+NH4]+ 287.10264 172.9
[M+K]+ 308.03198 161.1
[M+H-H2O]+ 252.06608 150.7
[M+HCOO]- 314.06702 180.4
[M+CH3COO]- 328.08267 196.5
[M+Na-2H]- 290.04349 161.6
[M]+ 269.06827 157.3
[M]- 269.06937 157.3
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.