CID 3409329

379255-30-8

Structural Information

Molecular Formula
C12H15ClN2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCl
InChI
InChI=1S/C12H15ClN2O4S/c13-9-12(16)14-10-2-1-3-11(8-10)20(17,18)15-4-6-19-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)
InChIKey
BCKSUCMCPBJYRS-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0441 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05138 167.1
[M+Na]+ 341.03332 172.9
[M-H]- 317.03682 172.5
[M+NH4]+ 336.07792 179.3
[M+K]+ 357.00726 169.8
[M+H-H2O]+ 301.04136 160.2
[M+HCOO]- 363.04230 176.0
[M+CH3COO]- 377.05795 199.9
[M+Na-2H]- 339.01877 170.7
[M]+ 318.04355 168.6
[M]- 318.04465 168.6
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.