CID 3018484

P-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide

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 168.7
[M+Na]+ 349.00539 175.7
[M-H]- 325.00889 171.3
[M+NH4]+ 344.04999 182.9
[M+K]+ 364.97933 168.9
[M+H-H2O]+ 309.01343 163.0
[M+HCOO]- 371.01437 176.9
[M+CH3COO]- 385.03002 202.6
[M+Na-2H]- 346.99084 172.3
[M]+ 326.01562 172.7
[M]- 326.01672 172.7
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.