CID 16774082

N-(3-amino-4-chlorophenyl)butane-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C10H15ClN2O2S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C10H15ClN2O2S/c1-2-3-6-16(14,15)13-8-4-5-9(11)10(12)7-8/h4-5,7,13H,2-3,6,12H2,1H3
InChIKey
BULYOBGMMWENAN-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06158 155.5
[M+Na]+ 285.04352 163.8
[M-H]- 261.04702 159.0
[M+NH4]+ 280.08812 173.0
[M+K]+ 301.01746 158.4
[M+H-H2O]+ 245.05156 150.2
[M+HCOO]- 307.05250 170.3
[M+CH3COO]- 321.06815 196.2
[M+Na-2H]- 283.02897 158.5
[M]+ 262.05375 158.8
[M]- 262.05485 158.8
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.