CID 75480951

5-chloro-4-acetamido-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H9Cl2NO4S
SMILES
CC(=O)NC1=CC(=C(C=C1Cl)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H9Cl2NO4S/c1-5(13)12-7-4-8(16-2)9(3-6(7)10)17(11,14)15/h3-4H,1-2H3,(H,12,13)
InChIKey
WJXWQRAKSPMCOM-UHFFFAOYSA-N
Compound name
4-acetamido-5-chloro-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.96292 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97020 155.4
[M+Na]+ 319.95214 165.8
[M-H]- 295.95564 159.9
[M+NH4]+ 314.99674 172.7
[M+K]+ 335.92608 161.0
[M+H-H2O]+ 279.96018 152.0
[M+HCOO]- 341.96112 165.0
[M+CH3COO]- 355.97677 198.1
[M+Na-2H]- 317.93759 157.8
[M]+ 296.96237 163.1
[M]- 296.96347 163.1
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.