CID 168323042

Dtxsid401356254

Structural Information

Molecular Formula
C14H18FNO
SMILES
CCNC1(CCCCC1=O)C2=CC=CC=C2F
InChI
InChI=1S/C14H18FNO/c1-2-16-14(10-6-5-9-13(14)17)11-7-3-4-8-12(11)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKey
RTXKYSLDFKUESF-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-(2-fluorophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.144516 152.7
[M+Na]+ 258.126458 158.5
[M-H]- 234.129964 157.6
[M+NH4]+ 253.171063 172.0
[M+K]+ 274.100398 155.0
[M+H-H2O]+ 218.134500 145.0
[M+HCOO]- 280.135441 173.1
[M+CH3COO]- 294.151091 193.6
[M+Na-2H]- 256.111906 157.1
[M]+ 235.13669142 147.4
[M]- 235.13778858 147.4
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.