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]+ 262.029916 152.3
[M+Na]+ 284.011858 160.3
[M-H]- 260.015364 156.5
[M+NH4]+ 279.056463 170.1
[M+K]+ 299.985798 156.3
[M+H-H2O]+ 244.019900 147.5
[M+HCOO]- 306.020841 165.3
[M+CH3COO]- 320.036491 193.5
[M+Na-2H]- 281.997306 154.8
[M]+ 261.02209142 156.8
[M]- 261.02318858 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.