CID 167726850

2913279-78-2

Structural Information

Molecular Formula
C9H12FN3O2S
SMILES
C1CN(CCN1)C2=CC(=CN=C2)S(=O)(=O)F
InChI
InChI=1S/C9H12FN3O2S/c10-16(14,15)9-5-8(6-12-7-9)13-3-1-11-2-4-13/h5-7,11H,1-4H2
InChIKey
NFPYTCHJMLTLDQ-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylpyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06343 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07071 151.4
[M+Na]+ 268.05265 158.8
[M-H]- 244.05615 151.0
[M+NH4]+ 263.09725 164.1
[M+K]+ 284.02659 154.1
[M+H-H2O]+ 228.06069 142.5
[M+HCOO]- 290.06163 160.8
[M+CH3COO]- 304.07728 184.2
[M+Na-2H]- 266.03810 155.0
[M]+ 245.06288 146.6
[M]- 245.06398 146.6
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.