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 152.3
[M+Na]+ 284.01186 161.5
[M-H]- 260.01536 156.7
[M+NH4]+ 279.05646 170.4
[M+K]+ 299.98580 157.0
[M+H-H2O]+ 244.01990 147.6
[M+HCOO]- 306.02084 166.3
[M+CH3COO]- 320.03649 193.9
[M+Na-2H]- 281.99731 155.2
[M]+ 261.02209 157.7
[M]- 261.02319 157.7
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