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]+ 210.12888 145.5
[M+Na]+ 232.11082 150.9
[M-H]- 208.11432 149.8
[M+NH4]+ 227.15542 163.6
[M+K]+ 248.08476 147.8
[M+H-H2O]+ 192.11886 137.5
[M+HCOO]- 254.11980 165.8
[M+CH3COO]- 268.13545 188.2
[M+Na-2H]- 230.09627 148.9
[M]+ 209.12105 138.9
[M]- 209.12215 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.