CID 39361897

2-chloro-n-methyl-5-propanoylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
CCC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC
InChI
InChI=1S/C10H12ClNO3S/c1-3-9(13)7-4-5-8(11)10(6-7)16(14,15)12-2/h4-6,12H,3H2,1-2H3
InChIKey
BRGDQLWDZVGXHY-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-5-propanoylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.02264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 155.9
[M+Na]+ 284.01186 167.2
[M+NH4]+ 279.05646 163.0
[M+K]+ 299.98580 160.0
[M-H]- 260.01536 156.6
[M+Na-2H]- 281.99731 160.6
[M]+ 261.02209 158.3
[M]- 261.02319 158.3
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