CID 372290

Nsc647349

Structural Information

Molecular Formula
C14H10O8
SMILES
C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C=O)O)O)O)C=O
InChI
InChI=1S/C14H10O8/c15-3-5-1-7(17)11(19)13(21)9(5)10-6(4-16)2-8(18)12(20)14(10)22/h1-4,17-22H
InChIKey
KIYPEIJLQVMIMH-UHFFFAOYSA-N
Compound name
2-(6-formyl-2,3,4-trihydroxyphenyl)-3,4,5-trihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03757 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04485 162.5
[M+Na]+ 329.02679 172.7
[M-H]- 305.03029 163.4
[M+NH4]+ 324.07139 173.9
[M+K]+ 345.00073 168.7
[M+H-H2O]+ 289.03483 156.2
[M+HCOO]- 351.03577 179.2
[M+CH3COO]- 365.05142 195.3
[M+Na-2H]- 327.01224 162.4
[M]+ 306.03702 163.9
[M]- 306.03812 163.9
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.