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]+ 345.067026 173.1
[M+Na]+ 367.048968 179.6
[M-H]- 343.052474 176.7
[M+NH4]+ 362.093573 184.6
[M+K]+ 383.022908 175.1
[M+H-H2O]+ 327.057010 165.9
[M+HCOO]- 389.057951 179.0
[M+CH3COO]- 403.073601 204.7
[M+Na-2H]- 365.034416 173.0
[M]+ 344.05920142 175.1
[M]- 344.06029858 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.