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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.036476	155.7
[M+Na]+	301.018418	164.0
[M-H]-	277.021924	156.9
[M+NH4]+	296.063023	169.6
[M+K]+	316.992358	157.9
[M+H-H2O]+	261.026460	148.2
[M+HCOO]-	323.027401	161.5
[M+CH3COO]-	337.043051	189.3
[M+Na-2H]-	299.003866	157.8
[M]+	278.02865142	153.1
[M]-	278.02974858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.