CID 77027

4-bromo-n-propylbenzenesulfonamide

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChIKey
CZRKEJQELXKHAQ-UHFFFAOYSA-N
Compound name
4-bromo-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.9772 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98448 143.2
[M+Na]+ 299.96642 154.9
[M-H]- 275.96992 149.7
[M+NH4]+ 295.01102 163.5
[M+K]+ 315.94036 142.5
[M+H-H2O]+ 259.97446 143.0
[M+HCOO]- 321.97540 160.5
[M+CH3COO]- 335.99105 193.6
[M+Na-2H]- 297.95187 150.2
[M]+ 276.97665 164.2
[M]- 276.97775 164.2
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