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]+ 224.14452 150.1
[M+Na]+ 246.12646 155.1
[M-H]- 222.12996 154.2
[M+NH4]+ 241.17106 167.6
[M+K]+ 262.10040 151.7
[M+H-H2O]+ 206.13450 141.9
[M+HCOO]- 268.13544 170.0
[M+CH3COO]- 282.15109 191.2
[M+Na-2H]- 244.11191 152.9
[M]+ 223.13669 143.9
[M]- 223.13779 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