CID 16226892

879319-23-0

Structural Information

Molecular Formula
C14H17ClN2O4S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C14H17ClN2O4S/c1-11(18)12-2-4-13(5-3-12)22(20,21)17-8-6-16(7-9-17)14(19)10-15/h2-5H,6-10H2,1H3
InChIKey
YZUSWKLRHVBLTM-UHFFFAOYSA-N
Compound name
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05975 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06703 174.1
[M+Na]+ 367.04897 184.9
[M+NH4]+ 362.09357 179.5
[M+K]+ 383.02291 178.5
[M-H]- 343.05247 174.2
[M+Na-2H]- 365.03442 178.4
[M]+ 344.05920 176.1
[M]- 344.06030 176.1
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.