CID 2063342

1-(4-fluorobenzenesulfonyl)piperazine

Structural Information

Molecular Formula
C10H13FN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
KKDHOKJGLSITHN-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

148
Patents

244.06818 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07546 151.0
[M+Na]+ 267.05740 157.9
[M-H]- 243.06090 151.8
[M+NH4]+ 262.10200 165.1
[M+K]+ 283.03134 153.2
[M+H-H2O]+ 227.06544 142.7
[M+HCOO]- 289.06638 161.4
[M+CH3COO]- 303.08203 184.3
[M+Na-2H]- 265.04285 154.1
[M]+ 244.06763 146.1
[M]- 244.06873 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe