CID 16226881

1-(chloroacetyl)-4-[(2,6-difluorophenyl)sulfonyl]piperazine

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 170.7
[M+Na]+ 361.01955 180.4
[M+NH4]+ 356.06415 175.5
[M+K]+ 376.99349 173.8
[M-H]- 337.02305 168.5
[M+Na-2H]- 359.00500 174.1
[M]+ 338.02978 171.8
[M]- 338.03088 171.8
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.