CID 64104515

1461714-03-3

Structural Information

Molecular Formula
C12H16FNO
SMILES
CNC1CCOC(C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FNO/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKey
NXQJSVOBTWNAFS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 145.8
[M+Na]+ 232.110818 151.4
[M-H]- 208.114324 151.4
[M+NH4]+ 227.155423 163.0
[M+K]+ 248.084758 149.6
[M+H-H2O]+ 192.118860 137.8
[M+HCOO]- 254.119801 165.9
[M+CH3COO]- 268.135451 188.8
[M+Na-2H]- 230.096266 151.1
[M]+ 209.12105142 140.9
[M]- 209.12214858 140.9
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.