CID 101302

4-chloro-n-propylbenzenesulfonamide

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChIKey
IQAWZHMVSPVZCM-UHFFFAOYSA-N
Compound name
4-chloro-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.02773 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 146.7
[M+Na]+ 256.01695 155.7
[M-H]- 232.02045 150.8
[M+NH4]+ 251.06155 165.9
[M+K]+ 271.99089 150.9
[M+H-H2O]+ 216.02499 141.9
[M+HCOO]- 278.02593 161.6
[M+CH3COO]- 292.04158 187.6
[M+Na-2H]- 254.00240 151.5
[M]+ 233.02718 151.1
[M]- 233.02828 151.1
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