CID 4393687

114341-14-9

Structural Information

Molecular Formula

C₁₄H₁₀ClNO₃S

SMILES

C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C14H10ClNO3S/c15-20(18,19)12-7-5-11(6-8-12)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2

InChIKey

PKWBLDDSBFCSPX-UHFFFAOYSA-N

Compound name

4-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 307.007 Da
Monoisotopic Mass: 2.8
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]+	308.01428	165.7
[M+Na]+	329.99622	180.2
[M+NH4]+	325.04082	174.3
[M+K]+	345.97016	172.7
[M-H]-	305.99972	168.6
[M+Na-2H]-	327.98167	172.6
[M]+	307.00645	169.4
[M]-	307.00755	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe