CID 2405183

1-(2,6-difluorobenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C10H12F2N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C10H12F2N2O2S/c11-8-2-1-3-9(12)10(8)17(15,16)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChIKey
PZSLKDVSXVWFMI-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

262.05875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06603 153.4
[M+Na]+ 285.04797 161.2
[M-H]- 261.05147 153.2
[M+NH4]+ 280.09257 167.0
[M+K]+ 301.02191 156.0
[M+H-H2O]+ 245.05601 144.3
[M+HCOO]- 307.05695 162.7
[M+CH3COO]- 321.07260 188.2
[M+Na-2H]- 283.03342 155.3
[M]+ 262.05820 147.8
[M]- 262.05930 147.8
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

patents stripe