CID 155820706

1-chloro-3-(3,3-difluoropiperidin-1-yl)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C8H14ClF2NO
SMILES
C1CC(CN(C1)CC(CCl)O)(F)F
InChI
InChI=1S/C8H14ClF2NO/c9-4-7(13)5-12-3-1-2-8(10,11)6-12/h7,13H,1-6H2
InChIKey
NZKLFBDXIZHVAN-UHFFFAOYSA-N
Compound name
1-chloro-3-(3,3-difluoropiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08048 141.9
[M+Na]+ 236.06242 148.5
[M-H]- 212.06592 139.4
[M+NH4]+ 231.10702 161.2
[M+K]+ 252.03636 145.0
[M+H-H2O]+ 196.07046 135.6
[M+HCOO]- 258.07140 152.2
[M+CH3COO]- 272.08705 182.2
[M+Na-2H]- 234.04787 144.8
[M]+ 213.07265 136.8
[M]- 213.07375 136.8
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.