CID 2512700

1-(3,4-difluorobenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂F₂N₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C10H12F2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

InChIKey

XKGBMSVWWYWNRI-UHFFFAOYSA-N

Compound name

1-(3,4-difluorophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 262.05875 Da
Monoisotopic Mass: 0.6
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]+	263.066026	153.4
[M+Na]+	285.047968	161.2
[M-H]-	261.051474	153.2
[M+NH4]+	280.092573	167.0
[M+K]+	301.021908	156.0
[M+H-H2O]+	245.056010	144.3
[M+HCOO]-	307.056951	162.7
[M+CH3COO]-	321.072601	188.2
[M+Na-2H]-	283.033416	155.3
[M]+	262.05820142	147.8
[M]-	262.05929858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe