CID 198963

3571-08-2

Structural Information

Molecular Formula
C12H16ClNO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)CN(CCO)C(=O)CCl
InChI
InChI=1S/C12H16ClNO4S/c1-19(17,18)11-4-2-10(3-5-11)9-14(6-7-15)12(16)8-13/h2-5,15H,6-9H2,1H3
InChIKey
ZZJALKRPXIZHQP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-hydroxyethyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04886 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05614 166.8
[M+Na]+ 328.03808 176.4
[M+NH4]+ 323.08268 172.8
[M+K]+ 344.01202 170.1
[M-H]- 304.04158 166.6
[M+Na-2H]- 326.02353 170.6
[M]+ 305.04831 168.6
[M]- 305.04941 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.