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]+ 234.035006 146.7
[M+Na]+ 256.016948 155.7
[M-H]- 232.020454 150.8
[M+NH4]+ 251.061553 165.9
[M+K]+ 271.990888 150.9
[M+H-H2O]+ 216.024990 141.9
[M+HCOO]- 278.025931 161.6
[M+CH3COO]- 292.041581 187.6
[M+Na-2H]- 254.002396 151.5
[M]+ 233.02718142 151.1
[M]- 233.02827858 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