CID 69047

Phenol, methylidynetris-

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

15540
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 167.1
[M+Na]+ 315.09917 173.7
[M-H]- 291.10267 173.3
[M+NH4]+ 310.14377 180.0
[M+K]+ 331.07311 168.0
[M+H-H2O]+ 275.10721 159.1
[M+HCOO]- 337.10815 186.1
[M+CH3COO]- 351.12380 177.6
[M+Na-2H]- 313.08462 170.3
[M]+ 292.10940 164.6
[M]- 292.11050 164.6
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