CID 349244

3'-hydroxyphthalanilic acid

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)O)C(=O)O

InChI

InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(18)19/h1-8,16H,(H,15,17)(H,18,19)

InChIKey

PHTZVGCQVXOGLA-UHFFFAOYSA-N

Compound name

2-[(3-hydroxyphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 257.06882 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.076096	155.1
[M+Na]+	280.058038	161.5
[M-H]-	256.061544	159.5
[M+NH4]+	275.102643	169.8
[M+K]+	296.031978	158.1
[M+H-H2O]+	240.066080	147.8
[M+HCOO]-	302.067021	176.7
[M+CH3COO]-	316.082671	192.3
[M+Na-2H]-	278.043486	158.8
[M]+	257.06827142	153.5
[M]-	257.06936858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe