CID 3078758

Brn 5994509

Structural Information

Molecular Formula
C20H18FNO3
SMILES
C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18FNO3/c21-16-6-7-18-15(12-16)13-17(19(23)14-4-2-1-3-5-14)20(25-18)22-8-10-24-11-9-22/h1-7,12-13,20H,8-11H2
InChIKey
VLUPLLLYOOTZAR-UHFFFAOYSA-N
Compound name
(6-fluoro-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13436 179.8
[M+Na]+ 362.11630 185.2
[M-H]- 338.11980 187.8
[M+NH4]+ 357.16090 189.1
[M+K]+ 378.09024 182.5
[M+H-H2O]+ 322.12434 168.2
[M+HCOO]- 384.12528 192.7
[M+CH3COO]- 398.14093 188.9
[M+Na-2H]- 360.10175 183.0
[M]+ 339.12653 175.8
[M]- 339.12763 175.8
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.