CID 28368438

2-(cyclohexylmethoxy)-4-fluoroaniline

Structural Information

Molecular Formula
C13H18FNO
SMILES
C1CCC(CC1)COC2=C(C=CC(=C2)F)N
InChI
InChI=1S/C13H18FNO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,15H2
InChIKey
OFNOJXWJIPYBTK-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethoxy)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.13724 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 150.1
[M+Na]+ 246.126458 155.1
[M-H]- 222.129964 154.2
[M+NH4]+ 241.171063 167.6
[M+K]+ 262.100398 151.7
[M+H-H2O]+ 206.134500 141.9
[M+HCOO]- 268.135441 170.0
[M+CH3COO]- 282.151091 191.2
[M+Na-2H]- 244.111906 152.9
[M]+ 223.13669142 143.9
[M]- 223.13778858 143.9
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

patents stripe