CID 16227112

923183-36-2

Structural Information

Molecular Formula
C14H19F2NO2
SMILES
COC1=C(C=CC(=C1)C2(CCCC2)CN)OC(F)F
InChI
InChI=1S/C14H19F2NO2/c1-18-12-8-10(4-5-11(12)19-13(15)16)14(9-17)6-2-3-7-14/h4-5,8,13H,2-3,6-7,9,17H2,1H3
InChIKey
YFFRJLLEJCROBY-UHFFFAOYSA-N
Compound name
[1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.1384 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14568 160.3
[M+Na]+ 294.12762 166.5
[M-H]- 270.13112 163.7
[M+NH4]+ 289.17222 179.7
[M+K]+ 310.10156 163.6
[M+H-H2O]+ 254.13566 152.2
[M+HCOO]- 316.13660 180.3
[M+CH3COO]- 330.15225 199.0
[M+Na-2H]- 292.11307 160.7
[M]+ 271.13785 156.7
[M]- 271.13895 156.7
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