CID 12539028

7,2'-dihydroxy-4'-methoxy-3-phenylcoumarin

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O)O
InChI
InChI=1S/C16H12O5/c1-20-11-4-5-12(14(18)8-11)13-6-9-2-3-10(17)7-15(9)21-16(13)19/h2-8,17-18H,1H3
InChIKey
CSQQQDLQNMHAPD-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.2
[M+Na]+ 307.05770 170.9
[M-H]- 283.06120 167.4
[M+NH4]+ 302.10230 174.8
[M+K]+ 323.03164 168.1
[M+H-H2O]+ 267.06574 152.7
[M+HCOO]- 329.06668 180.8
[M+CH3COO]- 343.08233 197.0
[M+Na-2H]- 305.04315 166.8
[M]+ 284.06793 164.2
[M]- 284.06903 164.2
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.