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]+ 178.10381 136.3
[M+Na]+ 200.08575 142.2
[M-H]- 176.08925 136.3
[M+NH4]+ 195.13035 157.6
[M+K]+ 216.05969 140.5
[M+H-H2O]+ 160.09379 129.8
[M+HCOO]- 222.09473 154.5
[M+CH3COO]- 236.11038 181.7
[M+Na-2H]- 198.07120 139.3
[M]+ 177.09598 128.2
[M]- 177.09708 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.