CID 18072954

4-(cyclopropylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClNO4S2
SMILES
C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClNO4S2/c10-16(12,13)8-3-5-9(6-4-8)17(14,15)11-7-1-2-7/h3-7,11H,1-2H2
InChIKey
IKRLTAZGFZYUGS-UHFFFAOYSA-N
Compound name
4-(cyclopropylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.97397 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98125 152.6
[M+Na]+ 317.96319 162.1
[M-H]- 293.96669 159.7
[M+NH4]+ 313.00779 164.0
[M+K]+ 333.93713 155.8
[M+H-H2O]+ 277.97123 147.3
[M+HCOO]- 339.97217 161.9
[M+CH3COO]- 353.98782 196.6
[M+Na-2H]- 315.94864 157.7
[M]+ 294.97342 159.2
[M]- 294.97452 159.2
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

No patent data available for this compound.