CID 43605257

1311317-54-0

Structural Information

Molecular Formula
C7H14F2N2O2S
SMILES
C1CN(CCC1CN)S(=O)(=O)C(F)F
InChI
InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-3-1-6(5-10)2-4-11/h6-7H,1-5,10H2
InChIKey
FRSHMVUTNLVUPE-UHFFFAOYSA-N
Compound name
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

228.0744 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08168 145.0
[M+Na]+ 251.06362 150.7
[M-H]- 227.06712 143.3
[M+NH4]+ 246.10822 161.3
[M+K]+ 267.03756 148.2
[M+H-H2O]+ 211.07166 137.0
[M+HCOO]- 273.07260 155.7
[M+CH3COO]- 287.08825 187.3
[M+Na-2H]- 249.04907 145.3
[M]+ 228.07385 139.2
[M]- 228.07495 139.2
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

patents stripe