CID 3057911

74254-76-5

Structural Information

Molecular Formula
C13H18ClNO4S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)CCN2CCOCC2
InChI
InChI=1S/C13H18ClNO4S/c1-18-12-3-2-11(14)10-13(12)20(16,17)9-6-15-4-7-19-8-5-15/h2-3,10H,4-9H2,1H3
InChIKey
YFGXTAKWXKYSFY-UHFFFAOYSA-N
Compound name
4-[2-(5-chloro-2-methoxyphenyl)sulfonylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0645 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07178 168.2
[M+Na]+ 342.05372 175.4
[M-H]- 318.05722 173.9
[M+NH4]+ 337.09832 181.2
[M+K]+ 358.02766 172.3
[M+H-H2O]+ 302.06176 161.4
[M+HCOO]- 364.06270 176.6
[M+CH3COO]- 378.07835 199.6
[M+Na-2H]- 340.03917 171.1
[M]+ 319.06395 172.5
[M]- 319.06505 172.5
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.