CID 23042488

15945-25-2

Structural Information

Molecular Formula

C₆H₃Cl₂NO₄S

SMILES

C1=CC(=C(C(=C1)S(=O)(=O)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H3Cl2NO4S/c7-6-4(9(10)11)2-1-3-5(6)14(8,12)13/h1-3H

InChIKey

XVHPRYPYHDUEAH-UHFFFAOYSA-N

Compound name

2-chloro-3-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 254.91599 Da
Monoisotopic Mass: 2.4
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]+	255.92327	145.3
[M+Na]+	277.90521	159.3
[M+NH4]+	272.94981	153.3
[M+K]+	293.87915	154.3
[M-H]-	253.90871	147.1
[M+Na-2H]-	275.89066	151.0
[M]+	254.91544	148.7
[M]-	254.91654	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe