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 155.4
[M+Na]+ 284.01186 165.9
[M+NH4]+ 279.05646 162.4
[M+K]+ 299.98580 159.5
[M-H]- 260.01536 155.8
[M+Na-2H]- 281.99731 160.1
[M]+ 261.02209 157.6
[M]- 261.02319 157.6
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.