CID 3018484

74220-53-4

Structural Information

Molecular Formula
C10H15ClN2O4S2
SMILES
C1=CC(=CC=C1NS(=O)(=O)CCCCCl)S(=O)(=O)N
InChI
InChI=1S/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17)
InChIKey
JAWCYQCOPVFEDM-UHFFFAOYSA-N
Compound name
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01617 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02345 172.3
[M+Na]+ 349.00539 180.0
[M+NH4]+ 344.04999 177.7
[M+K]+ 364.97933 172.4
[M-H]- 325.00889 171.7
[M+Na-2H]- 346.99084 175.2
[M]+ 326.01562 174.1
[M]- 326.01672 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.