CID 45283428

2-(2-fluorophenoxy)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1CCC(C(C1)N)OC2=CC=CC=C2F
InChI
InChI=1S/C12H16FNO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1,3,5,7,10,12H,2,4,6,8,14H2
InChIKey
QBRPQUPDBWIVMU-UHFFFAOYSA-N
Compound name
2-(2-fluorophenoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 145.5
[M+Na]+ 232.110818 150.9
[M-H]- 208.114324 149.8
[M+NH4]+ 227.155423 163.6
[M+K]+ 248.084758 147.8
[M+H-H2O]+ 192.118860 137.5
[M+HCOO]- 254.119801 165.8
[M+CH3COO]- 268.135451 188.2
[M+Na-2H]- 230.096266 148.9
[M]+ 209.12105142 138.9
[M]- 209.12214858 138.9
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.