CID 766913

Brn 5564370

Structural Information

Molecular Formula
C16H13FO2
SMILES
C1CC2=C(C=CC(=C2)C(=O)C3=CC=C(C=C3)F)OC1
InChI
InChI=1S/C16H13FO2/c17-14-6-3-11(4-7-14)16(18)13-5-8-15-12(10-13)2-1-9-19-15/h3-8,10H,1-2,9H2
InChIKey
DOXPZDQZYBELDP-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-6-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.08997 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09725 157.8
[M+Na]+ 279.07919 172.3
[M+NH4]+ 274.12379 166.8
[M+K]+ 295.05313 164.4
[M-H]- 255.08269 163.1
[M+Na-2H]- 277.06464 165.5
[M]+ 256.08942 161.4
[M]- 256.09052 161.4
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.