CID 16773488

153624-64-7

Structural Information

Molecular Formula

C₈H₇BrClNO₃S

SMILES

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

InChI

InChI=1S/C8H7BrClNO3S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14/h2-4H,1H3,(H,11,12)

InChIKey

JRLPTFYGXMPDHL-UHFFFAOYSA-N

Compound name

4-acetamido-2-bromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 310.90186 Da
Monoisotopic Mass: 1.8
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]+	311.90914	144.8
[M+Na]+	333.89108	158.3
[M-H]-	309.89458	152.1
[M+NH4]+	328.93568	164.8
[M+K]+	349.86502	144.8
[M+H-H2O]+	293.89912	145.9
[M+HCOO]-	355.90006	157.5
[M+CH3COO]-	369.91571	196.7
[M+Na-2H]-	331.87653	150.7
[M]+	310.90131	167.6
[M]-	310.90241	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe