CID 54680448

Nsc682612

Structural Information

Molecular Formula
C19H12O8
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2O)CC3=C(C4=C(C=C(C=C4)O)OC3=O)O
InChI
InChI=1S/C19H12O8/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,20-23H,7H2
InChIKey
ZCRYILRCCBOILO-UHFFFAOYSA-N
Compound name
3-[(4,7-dihydroxy-2-oxochromen-3-yl)methyl]-4,7-dihydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.05322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06050 180.8
[M+Na]+ 391.04244 193.4
[M-H]- 367.04594 188.1
[M+NH4]+ 386.08704 190.3
[M+K]+ 407.01638 191.4
[M+H-H2O]+ 351.05048 172.2
[M+HCOO]- 413.05142 197.5
[M+CH3COO]- 427.06707 192.3
[M+Na-2H]- 389.02789 187.3
[M]+ 368.05267 187.9
[M]- 368.05377 187.9
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.