CID 2106912

1-(3-fluoro-benzenesulfonyl)-piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe