CID 81934171

2-amino-1-(4,4-difluorocyclohexyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1CC(CCC1C(=O)CN)(F)F
InChI
InChI=1S/C8H13F2NO/c9-8(10)3-1-6(2-4-8)7(12)5-11/h6H,1-5,11H2
InChIKey
YDEZRKDMHXIHOG-UHFFFAOYSA-N
Compound name
2-amino-1-(4,4-difluorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.103806 136.3
[M+Na]+ 200.085748 142.2
[M-H]- 176.089254 136.3
[M+NH4]+ 195.130353 157.6
[M+K]+ 216.059688 140.5
[M+H-H2O]+ 160.093790 129.8
[M+HCOO]- 222.094731 154.5
[M+CH3COO]- 236.110381 181.7
[M+Na-2H]- 198.071196 139.3
[M]+ 177.09598142 128.2
[M]- 177.09707858 128.2
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

No patent data available for this compound.