CID 282749

16761-18-5

Structural Information

Molecular Formula

C₈H₇Cl₂NO₃S

SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)

InChIKey

ALOQYFFSHSEVJH-UHFFFAOYSA-N

Compound name

4-acetamido-3-chlorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 266.95236 Da
Monoisotopic Mass: 1.6
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]+	267.95964	154.5
[M+Na]+	289.94158	166.6
[M+NH4]+	284.98618	161.9
[M+K]+	305.91552	159.2
[M-H]-	265.94508	155.1
[M+Na-2H]-	287.92703	159.5
[M]+	266.95181	157.3
[M]-	266.95291	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe