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 173.1
[M+Na]+ 367.04897 179.6
[M-H]- 343.05247 176.7
[M+NH4]+ 362.09357 184.6
[M+K]+ 383.02291 175.1
[M+H-H2O]+ 327.05701 165.9
[M+HCOO]- 389.05795 179.0
[M+CH3COO]- 403.07360 204.7
[M+Na-2H]- 365.03442 173.0
[M]+ 344.05920 175.1
[M]- 344.06030 175.1
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.