CID 2782731

1-[4-fluoro-2-(methylsulfonyl)phenyl]piperazine

Structural Information

Molecular Formula
C11H15FN2O2S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCNCC2
InChI
InChI=1S/C11H15FN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
DZTMMTKMPVAHPW-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2-methylsulfonylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

258.08383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09111 155.4
[M+Na]+ 281.07305 162.7
[M-H]- 257.07655 156.4
[M+NH4]+ 276.11765 169.2
[M+K]+ 297.04699 157.8
[M+H-H2O]+ 241.08109 147.1
[M+HCOO]- 303.08203 165.4
[M+CH3COO]- 317.09768 188.5
[M+Na-2H]- 279.05850 157.3
[M]+ 258.08328 151.2
[M]- 258.08438 151.2
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