CID 10377759

C0p8mp2sr5

Structural Information

Molecular Formula
C16H16FNO
SMILES
C1[C@@H](O[C@@H](C2=C1C=CC(=C2)F)C3=CC=CC=C3)CN
InChI
InChI=1S/C16H16FNO/c17-13-7-6-12-8-14(10-18)19-16(15(12)9-13)11-4-2-1-3-5-11/h1-7,9,14,16H,8,10,18H2/t14-,16-/m1/s1
InChIKey
AFYFIUCXBSVQSE-GDBMZVCRSA-N
Compound name
[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

257.12158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.128856 157.9
[M+Na]+ 280.110798 165.3
[M-H]- 256.114304 164.2
[M+NH4]+ 275.155403 174.0
[M+K]+ 296.084738 161.2
[M+H-H2O]+ 240.118840 149.2
[M+HCOO]- 302.119781 177.2
[M+CH3COO]- 316.135431 169.5
[M+Na-2H]- 278.096246 163.3
[M]+ 257.12103142 154.1
[M]- 257.12212858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.