CID 120307

633-00-1

Structural Information

Molecular Formula
C20H16O3
SMILES
CC1=C(C=CC(=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H16O3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,21,23H,1H3
InChIKey
TWNIXJJSBDRPSN-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

304.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 172.1
[M+Na]+ 327.09917 187.7
[M+NH4]+ 322.14377 179.9
[M+K]+ 343.07311 179.8
[M-H]- 303.10267 177.8
[M+Na-2H]- 325.08462 181.6
[M]+ 304.10940 176.0
[M]- 304.11050 176.0
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

patents stripe