CID 56691

93638-03-0

Structural Information

Molecular Formula
C17H18FNO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCC(C3=CC=C(C=C3)F)N
InChI
InChI=1S/C17H18FNO2/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16/h2-6,8,11,15H,1,7,9-10,19H2
InChIKey
XMVQCGIVGFGPJC-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13217 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13945 167.6
[M+Na]+ 310.12139 173.3
[M-H]- 286.12489 173.9
[M+NH4]+ 305.16599 180.7
[M+K]+ 326.09533 171.1
[M+H-H2O]+ 270.12943 158.4
[M+HCOO]- 332.13037 184.7
[M+CH3COO]- 346.14602 178.1
[M+Na-2H]- 308.10684 172.6
[M]+ 287.13162 165.1
[M]- 287.13272 165.1
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.