CID 8570

131-54-4

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O
InChI
InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
InChIKey
SODJJEXAWOSSON-UHFFFAOYSA-N
Compound name
bis(2-hydroxy-4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

24980
Patents

274.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 158.6
[M+Na]+ 297.073358 167.1
[M-H]- 273.076864 163.7
[M+NH4]+ 292.117963 173.7
[M+K]+ 313.047298 164.5
[M+H-H2O]+ 257.081400 151.6
[M+HCOO]- 319.082341 179.8
[M+CH3COO]- 333.097991 195.3
[M+Na-2H]- 295.058806 161.4
[M]+ 274.08359142 161.8
[M]- 274.08468858 161.8
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