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

50
Patents

282.97397 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98125 155.6
[M+Na]+ 305.96319 164.8
[M-H]- 281.96669 161.1
[M+NH4]+ 301.00779 173.0
[M+K]+ 321.93713 160.5
[M+H-H2O]+ 265.97123 150.7
[M+HCOO]- 327.97217 164.7
[M+CH3COO]- 341.98782 195.5
[M+Na-2H]- 303.94864 159.8
[M]+ 282.97342 162.2
[M]- 282.97452 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