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]+ 249.993526 146.6
[M+Na]+ 271.975468 156.0
[M-H]- 247.978974 149.9
[M+NH4]+ 267.020073 164.4
[M+K]+ 287.949408 151.7
[M+H-H2O]+ 231.983510 142.4
[M+HCOO]- 293.984451 160.0
[M+CH3COO]- 308.000101 186.9
[M+Na-2H]- 269.960916 150.2
[M]+ 248.98570142 150.7
[M]- 248.98679858 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.