CID 18071777

3-(methylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO4S2
SMILES
CNS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO4S2/c1-9-15(12,13)7-4-2-3-6(5-7)14(8,10)11/h2-5,9H,1H3
InChIKey
WUWKTVQTRMOWKR-UHFFFAOYSA-N
Compound name
3-(methylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.9583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96558 152.3
[M+Na]+ 291.94752 161.8
[M-H]- 267.95102 156.5
[M+NH4]+ 286.99212 169.6
[M+K]+ 307.92146 156.3
[M+H-H2O]+ 251.95556 147.8
[M+HCOO]- 313.95650 161.3
[M+CH3COO]- 327.97215 189.3
[M+Na-2H]- 289.93297 157.4
[M]+ 268.95775 157.3
[M]- 268.95885 157.3
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