CID 350405

97479-19-1

Structural Information

Molecular Formula
C20H18O2
SMILES
CC1=CC=C(C=C1)C2=CC(=C(C=C2O)C3=CC=C(C=C3)C)O
InChI
InChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-20(22)18(12-19(17)21)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
InChIKey
ITGSRKMEMQBHRM-UHFFFAOYSA-N
Compound name
2,5-bis(4-methylphenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.13068 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.1
[M+Na]+ 313.11990 177.1
[M-H]- 289.12340 176.2
[M+NH4]+ 308.16450 182.6
[M+K]+ 329.09384 170.9
[M+H-H2O]+ 273.12794 160.0
[M+HCOO]- 335.12888 189.1
[M+CH3COO]- 349.14453 179.9
[M+Na-2H]- 311.10535 170.9
[M]+ 290.13013 167.8
[M]- 290.13123 167.8
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