CID 5706312

Brn 2287547

Structural Information

Molecular Formula
C18H14O4
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C(=O)/C=C(\O)/C2=CC=CC=C2)/O
InChI
InChI=1S/C18H14O4/c19-15(13-7-3-1-4-8-13)11-17(21)18(22)12-16(20)14-9-5-2-6-10-14/h1-12,19-20H/b15-11-,16-12-
InChIKey
SJVNTAIFZNBHNX-NFLUSIDLSA-N
Compound name
(1Z,5Z)-1,6-dihydroxy-1,6-diphenylhexa-1,5-diene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 167.9
[M+Na]+ 317.078418 171.7
[M-H]- 293.081924 171.1
[M+NH4]+ 312.123023 180.5
[M+K]+ 333.052358 167.2
[M+H-H2O]+ 277.086460 160.4
[M+HCOO]- 339.087401 185.5
[M+CH3COO]- 353.103051 196.3
[M+Na-2H]- 315.063866 168.1
[M]+ 294.08865142 164.9
[M]- 294.08974858 164.9
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

patents stripe