CID 52161155

2-(cyclohexylamino)-1-(4-fluorophenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H18FNO
SMILES
C1CCC(CC1)NCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H18FNO/c15-12-8-6-11(7-9-12)14(17)10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2
InChIKey
FTFWWXGDWNBAAF-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13724 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14452 153.3
[M+Na]+ 258.12646 156.9
[M-H]- 234.12996 157.4
[M+NH4]+ 253.17106 170.1
[M+K]+ 274.10040 153.5
[M+H-H2O]+ 218.13450 144.8
[M+HCOO]- 280.13544 172.7
[M+CH3COO]- 294.15109 193.8
[M+Na-2H]- 256.11191 156.1
[M]+ 235.13669 146.7
[M]- 235.13779 146.7
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.