CID 16227027

885526-86-3

Structural Information

Molecular Formula

C₇H₆ClNO₃S

SMILES

C1=CC(=CC=C1C(=O)N)S(=O)(=O)Cl

InChI

InChI=1S/C7H6ClNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey

YWMSSKBMOFPBDM-UHFFFAOYSA-N

Compound name

4-carbamoylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5927
Patents: 218.9757 Da
Monoisotopic Mass: 0.7
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]+	219.98298	139.9
[M+Na]+	241.96492	149.6
[M-H]-	217.96842	144.0
[M+NH4]+	237.00952	159.2
[M+K]+	257.93886	145.3
[M+H-H2O]+	201.97296	135.6
[M+HCOO]-	263.97390	154.3
[M+CH3COO]-	277.98955	183.0
[M+Na-2H]-	239.95037	143.8
[M]+	218.97515	142.8
[M]-	218.97625	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe