CID 139015665

4-phenylpiperazine-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H13FN2O2S
SMILES
C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)F
InChI
InChI=1S/C10H13FN2O2S/c11-16(14,15)13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
RJADPTMWQJOFGX-UHFFFAOYSA-N
Compound name
4-phenylpiperazine-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06818 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07546 150.8
[M+Na]+ 267.05740 158.1
[M-H]- 243.06090 153.1
[M+NH4]+ 262.10200 165.6
[M+K]+ 283.03134 154.4
[M+H-H2O]+ 227.06544 142.1
[M+HCOO]- 289.06638 162.7
[M+CH3COO]- 303.08203 186.9
[M+Na-2H]- 265.04285 154.3
[M]+ 244.06763 147.7
[M]- 244.06873 147.7
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.