CID 4961676

N-[4-(2-chloropropanoyl)phenyl]methanesulfonamide

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)Cl
InChI
InChI=1S/C10H12ClNO3S/c1-7(11)10(13)8-3-5-9(6-4-8)12-16(2,14)15/h3-7,12H,1-2H3
InChIKey
LNPMCGDYEVGLRO-UHFFFAOYSA-N
Compound name
N-[4-(2-chloropropanoyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.02264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 152.3
[M+Na]+ 284.01186 160.3
[M-H]- 260.01536 156.5
[M+NH4]+ 279.05646 170.1
[M+K]+ 299.98580 156.3
[M+H-H2O]+ 244.01990 147.5
[M+HCOO]- 306.02084 165.3
[M+CH3COO]- 320.03649 193.5
[M+Na-2H]- 281.99731 154.8
[M]+ 261.02209 156.8
[M]- 261.02319 156.8
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

No patent data available for this compound.