CID 2560323

1-(3-chloro-4-fluorobenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C10H12ClFN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C10H12ClFN2O2S/c11-9-7-8(1-2-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
VVUIDUDDWNRWFH-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03648 155.7
[M+Na]+ 301.01842 164.0
[M-H]- 277.02192 156.9
[M+NH4]+ 296.06302 169.6
[M+K]+ 316.99236 157.9
[M+H-H2O]+ 261.02646 148.2
[M+HCOO]- 323.02740 161.5
[M+CH3COO]- 337.04305 189.3
[M+Na-2H]- 299.00387 157.8
[M]+ 278.02865 153.1
[M]- 278.02975 153.1
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.