CID 43361305

1098398-20-9

Structural Information

Molecular Formula
C7H10F3NO4S
SMILES
C1CC(CN(C1)S(=O)(=O)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO4S/c8-7(9,10)16(14,15)11-3-1-2-5(4-11)6(12)13/h5H,1-4H2,(H,12,13)
InChIKey
IQUWOGHLUXGPQM-UHFFFAOYSA-N
Compound name
1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.02826 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03554 148.7
[M+Na]+ 284.01748 155.3
[M-H]- 260.02098 145.2
[M+NH4]+ 279.06208 163.4
[M+K]+ 299.99142 152.9
[M+H-H2O]+ 244.02552 140.9
[M+HCOO]- 306.02646 155.7
[M+CH3COO]- 320.04211 186.4
[M+Na-2H]- 282.00293 150.1
[M]+ 261.02771 143.3
[M]- 261.02881 143.3
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.