CID 53720

77694-33-8

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

C1COC(=O)C1NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)

InChIKey

NXWISPCEGBWBTO-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-oxooxolan-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 239.03493 Da
Monoisotopic Mass: 1.9
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]+	240.042206	150.8
[M+Na]+	262.024148	158.6
[M-H]-	238.027654	158.3
[M+NH4]+	257.068753	169.3
[M+K]+	277.998088	155.8
[M+H-H2O]+	222.032190	145.2
[M+HCOO]-	284.033131	169.6
[M+CH3COO]-	298.048781	189.2
[M+Na-2H]-	260.009596	154.1
[M]+	239.03438142	151.7
[M]-	239.03547858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe