CID 16548

2162-57-4

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

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

InChI

InChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)

InChIKey

ZDLMIZMSCMTDOD-UHFFFAOYSA-N

Compound name

5-amino-2-benzoylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 241.0739 Da
Monoisotopic Mass: 2.1
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]+	242.081176	152.3
[M+Na]+	264.063118	159.3
[M-H]-	240.066624	157.6
[M+NH4]+	259.107723	168.2
[M+K]+	280.037058	155.7
[M+H-H2O]+	224.071160	145.1
[M+HCOO]-	286.072101	174.6
[M+CH3COO]-	300.087751	192.5
[M+Na-2H]-	262.048566	155.4
[M]+	241.07335142	150.2
[M]-	241.07444858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe