CID 77621

4004-97-1

Structural Information

Molecular Formula
C17H19FN2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN2O2S/c1-14-2-8-17(9-3-14)23(21,22)20-12-10-19(11-13-20)16-6-4-15(18)5-7-16/h2-9H,10-13H2,1H3
InChIKey
CIGSCDLAXLXDQV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.1151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12238 176.4
[M+Na]+ 357.10432 183.8
[M-H]- 333.10782 181.7
[M+NH4]+ 352.14892 187.5
[M+K]+ 373.07826 177.8
[M+H-H2O]+ 317.11236 166.0
[M+HCOO]- 379.11330 187.4
[M+CH3COO]- 393.12895 206.1
[M+Na-2H]- 355.08977 177.7
[M]+ 334.11455 173.9
[M]- 334.11565 173.9
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