CID 40399

Exifone

Structural Information

Molecular Formula
C13H10O7
SMILES
C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
InChI
InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
InChIKey
XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Compound name
(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

2700
Patents

278.04266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04994 156.8
[M+Na]+ 301.03188 165.6
[M-H]- 277.03538 157.3
[M+NH4]+ 296.07648 169.1
[M+K]+ 317.00582 161.9
[M+H-H2O]+ 261.03992 150.8
[M+HCOO]- 323.04086 172.7
[M+CH3COO]- 337.05651 188.5
[M+Na-2H]- 299.01733 157.3
[M]+ 278.04211 155.8
[M]- 278.04321 155.8
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