CID 69047

603-44-1

Structural Information

Molecular Formula
C19H16O3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
InChIKey
WFCQTAXSWSWIHS-UHFFFAOYSA-N
Compound name
4-[bis(4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14700
Patents

292.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 169.2
[M+Na]+ 315.09917 184.9
[M+NH4]+ 310.14377 177.4
[M+K]+ 331.07311 177.2
[M-H]- 291.10267 175.1
[M+Na-2H]- 313.08462 179.6
[M]+ 292.10940 173.3
[M]- 292.11050 173.3
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