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]+ 234.03501 146.2
[M+Na]+ 256.01695 154.9
[M-H]- 232.02045 150.5
[M+NH4]+ 251.06155 165.4
[M+K]+ 271.99089 150.7
[M+H-H2O]+ 216.02499 141.6
[M+HCOO]- 278.02593 160.2
[M+CH3COO]- 292.04158 188.5
[M+Na-2H]- 254.00240 150.0
[M]+ 233.02718 150.2
[M]- 233.02828 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.