CID 3406902

71530-61-5

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

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

InChI

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

InChIKey

WJMGDWNRDNTWPN-UHFFFAOYSA-N

Compound name

2-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 257.06882 Da
Monoisotopic Mass: 2.9
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]+	258.07610	154.8
[M+Na]+	280.05804	162.5
[M-H]-	256.06154	159.6
[M+NH4]+	275.10264	169.9
[M+K]+	296.03198	158.6
[M+H-H2O]+	240.06608	147.6
[M+HCOO]-	302.06702	177.4
[M+CH3COO]-	316.08267	192.6
[M+Na-2H]-	278.04349	159.0
[M]+	257.06827	154.3
[M]-	257.06937	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe