CID 139026729

2361635-43-8

Structural Information

Molecular Formula
C7H12FNO4S
SMILES
C1CN(CCC1CC(=O)O)S(=O)(=O)F
InChI
InChI=1S/C7H12FNO4S/c8-14(12,13)9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKey
SENPUECDMXOOFF-UHFFFAOYSA-N
Compound name
2-(1-fluorosulfonylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0471 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05438 144.0
[M+Na]+ 248.03632 150.2
[M-H]- 224.03982 143.1
[M+NH4]+ 243.08092 160.3
[M+K]+ 264.01026 148.1
[M+H-H2O]+ 208.04436 137.6
[M+HCOO]- 270.04530 154.6
[M+CH3COO]- 284.06095 181.0
[M+Na-2H]- 246.02177 145.4
[M]+ 225.04655 141.6
[M]- 225.04765 141.6
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.