CID 3840092

4-(dimethylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H10ClNO4S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3
InChIKey
MONMTDYGPKNEOH-UHFFFAOYSA-N
Compound name
4-(dimethylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

282.97397 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.981246 155.6
[M+Na]+ 305.963188 164.8
[M-H]- 281.966694 161.1
[M+NH4]+ 301.007793 173.0
[M+K]+ 321.937128 160.5
[M+H-H2O]+ 265.971230 150.7
[M+HCOO]- 327.972171 164.7
[M+CH3COO]- 341.987821 195.5
[M+Na-2H]- 303.948636 159.8
[M]+ 282.97342142 162.2
[M]- 282.97451858 162.2
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

patents stripe