CID 513104

3-(4-hydroxybenzyl)chroman-4-one

Structural Information

Molecular Formula
C16H14O3
SMILES
C1C(C(=O)C2=CC=CC=C2O1)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H14O3/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,12,17H,9-10H2
InChIKey
PIAQLKCIMQPZOZ-UHFFFAOYSA-N
Compound name
3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

254.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 155.2
[M+Na]+ 277.08352 162.9
[M-H]- 253.08702 162.2
[M+NH4]+ 272.12812 171.2
[M+K]+ 293.05746 159.6
[M+H-H2O]+ 237.09156 147.8
[M+HCOO]- 299.09250 174.2
[M+CH3COO]- 313.10815 167.4
[M+Na-2H]- 275.06897 161.6
[M]+ 254.09375 154.4
[M]- 254.09485 154.4
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.