CID 462700

6563-37-7

Structural Information

Molecular Formula
C15H12O4
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C15H12O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-7,15-16,18H,8H2
InChIKey
LHARPARLCDEZDK-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

256.07355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.0
[M+Na]+ 279.06277 162.6
[M-H]- 255.06627 160.2
[M+NH4]+ 274.10737 169.4
[M+K]+ 295.03671 159.4
[M+H-H2O]+ 239.07081 147.1
[M+HCOO]- 301.07175 172.1
[M+CH3COO]- 315.08740 166.2
[M+Na-2H]- 277.04822 160.0
[M]+ 256.07300 153.0
[M]- 256.07410 153.0
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