CID 65352653

1-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C16H16FNO2
SMILES
C1C(OC2=CC=CC=C2O1)C(CC3=CC=C(C=C3)F)N
InChI
InChI=1S/C16H16FNO2/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,13,16H,9-10,18H2
InChIKey
MEDMOVJGPKLNJJ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11652 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12380 162.9
[M+Na]+ 296.10574 169.0
[M-H]- 272.10924 169.4
[M+NH4]+ 291.15034 176.5
[M+K]+ 312.07968 167.0
[M+H-H2O]+ 256.11378 153.9
[M+HCOO]- 318.11472 180.3
[M+CH3COO]- 332.13037 173.8
[M+Na-2H]- 294.09119 168.4
[M]+ 273.11597 160.0
[M]- 273.11707 160.0
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.