CID 47121705

N-[1-(2-chlorophenyl)ethyl]methanesulfonamide

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C1=CC=CC=C1Cl)NS(=O)(=O)C
InChI
InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKey
HMJIOKFBRSKMHO-UHFFFAOYSA-N
Compound name
N-[1-(2-chlorophenyl)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02773 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.035006 146.2
[M+Na]+ 256.016948 154.9
[M-H]- 232.020454 150.5
[M+NH4]+ 251.061553 165.4
[M+K]+ 271.990888 150.7
[M+H-H2O]+ 216.024990 141.6
[M+HCOO]- 278.025931 160.2
[M+CH3COO]- 292.041581 188.5
[M+Na-2H]- 254.002396 150.0
[M]+ 233.02718142 150.2
[M]- 233.02827858 150.2
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.