CID 5310638

87891-62-1

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)OC3=CC=CC=C3
InChI
InChI=1S/C16H12O4/c1-10-16(20-12-5-3-2-4-6-12)15(18)13-8-7-11(17)9-14(13)19-10/h2-9,17H,1H3
InChIKey
WGDLKKMGZLAZSL-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

268.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 156.7
[M+Na]+ 291.06277 167.3
[M-H]- 267.06627 164.9
[M+NH4]+ 286.10737 172.5
[M+K]+ 307.03671 164.4
[M+H-H2O]+ 251.07081 149.1
[M+HCOO]- 313.07175 178.7
[M+CH3COO]- 327.08740 170.2
[M+Na-2H]- 289.04822 164.4
[M]+ 268.07300 160.6
[M]- 268.07410 160.6
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

patents stripe