CID 47002695

1221724-55-5

Structural Information

Molecular Formula
C13H15ClN2O2S
SMILES
C1CSCCN1C(=O)C2=CC(=CC=C2)NC(=O)CCl
InChI
InChI=1S/C13H15ClN2O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
InChIKey
RHBIDVWBWSYYGD-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06158 164.3
[M+Na]+ 321.04352 169.2
[M-H]- 297.04702 168.7
[M+NH4]+ 316.08812 178.7
[M+K]+ 337.01746 164.3
[M+H-H2O]+ 281.05156 157.2
[M+HCOO]- 343.05250 173.6
[M+CH3COO]- 357.06815 198.9
[M+Na-2H]- 319.02897 164.5
[M]+ 298.05375 163.5
[M]- 298.05485 163.5
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.