CID 16226881

923799-92-2

Structural Information

Molecular Formula
C12H13ClF2N2O3S
SMILES
C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C12H13ClF2N2O3S/c13-8-11(18)16-4-6-17(7-5-16)21(19,20)12-9(14)2-1-3-10(12)15/h1-3H,4-8H2
InChIKey
KNPLACWNGKQKQV-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.03033 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03761 167.7
[M+Na]+ 361.01955 176.2
[M-H]- 337.02305 169.1
[M+NH4]+ 356.06415 179.9
[M+K]+ 376.99349 170.7
[M+H-H2O]+ 321.02759 158.9
[M+HCOO]- 383.02853 172.7
[M+CH3COO]- 397.04418 203.1
[M+Na-2H]- 359.00500 167.4
[M]+ 338.02978 167.1
[M]- 338.03088 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.