CID 16226732

5-acetamido-2-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
CC(=O)NC1=CC(=C(C=C1)O)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO4S/c1-5(11)10-6-2-3-7(12)8(4-6)15(9,13)14/h2-4,12H,1H3,(H,10,11)
InChIKey
NPYGYJKBGAZWNC-UHFFFAOYSA-N
Compound name
5-acetamido-2-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.98625 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99353 146.6
[M+Na]+ 271.97547 156.0
[M-H]- 247.97897 149.9
[M+NH4]+ 267.02007 164.4
[M+K]+ 287.94941 151.7
[M+H-H2O]+ 231.98351 142.4
[M+HCOO]- 293.98445 160.0
[M+CH3COO]- 308.00010 186.9
[M+Na-2H]- 269.96092 150.2
[M]+ 248.98570 150.7
[M]- 248.98680 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.