CID 66570557

1389313-68-1

Structural Information

Molecular Formula
C6H9ClF3NO2S
SMILES
C1CCN(C(C1)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2
InChIKey
HHYSBNILYUIIAS-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)piperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00675 144.0
[M+Na]+ 273.98869 152.4
[M-H]- 249.99219 142.2
[M+NH4]+ 269.03329 161.1
[M+K]+ 289.96263 148.5
[M+H-H2O]+ 233.99673 136.9
[M+HCOO]- 295.99767 148.7
[M+CH3COO]- 310.01332 185.5
[M+Na-2H]- 271.97414 146.4
[M]+ 250.99892 140.3
[M]- 251.00002 140.3
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.