CID 2405188

1-(2,3,4-trifluorobenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C10H11F3N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F
InChI
InChI=1S/C10H11F3N2O2S/c11-7-1-2-8(10(13)9(7)12)18(16,17)15-5-3-14-4-6-15/h1-2,14H,3-6H2
InChIKey
CQMUVUJEIQGXIW-UHFFFAOYSA-N
Compound name
1-(2,3,4-trifluorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04935 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05663 155.9
[M+Na]+ 303.03857 164.5
[M-H]- 279.04207 154.6
[M+NH4]+ 298.08317 168.9
[M+K]+ 319.01251 158.9
[M+H-H2O]+ 263.04661 146.0
[M+HCOO]- 325.04755 164.1
[M+CH3COO]- 339.06320 192.2
[M+Na-2H]- 301.02402 156.5
[M]+ 280.04880 149.6
[M]- 280.04990 149.6
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.