CID 69342849

879542-89-9

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

C1CC(=O)N(C1)C2=CC(=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C11H10ClNO3/c12-8-4-7(11(15)16)5-9(6-8)13-3-1-2-10(13)14/h4-6H,1-3H2,(H,15,16)

InChIKey

BRGDAFUROXKHPQ-UHFFFAOYSA-N

Compound name

3-chloro-5-(2-oxopyrrolidin-1-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 239.03493 Da
Monoisotopic Mass: 1.5
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]+	240.04221	149.0
[M+Na]+	262.02415	161.1
[M+NH4]+	257.06875	156.4
[M+K]+	277.99809	157.4
[M-H]-	238.02765	150.5
[M+Na-2H]-	260.00960	154.2
[M]+	239.03438	151.1
[M]-	239.03548	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe