CID 766913

101019-03-8

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 155.3
[M+Na]+ 279.07919 162.4
[M-H]- 255.08269 161.9
[M+NH4]+ 274.12379 171.5
[M+K]+ 295.05313 159.3
[M+H-H2O]+ 239.08723 146.7
[M+HCOO]- 301.08817 173.6
[M+CH3COO]- 315.10382 167.2
[M+Na-2H]- 277.06464 160.9
[M]+ 256.08942 152.7
[M]- 256.09052 152.7
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.