CID 167947

Terferol

Structural Information

Molecular Formula
C19H16O3
SMILES
COC1=C(C(=C(C(=C1)C2=CC=CC=C2)O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H16O3/c1-22-16-12-15(13-8-4-2-5-9-13)18(20)19(21)17(16)14-10-6-3-7-11-14/h2-12,20-21H,1H3
InChIKey
HMCUGCPHZLJKMS-UHFFFAOYSA-N
Compound name
4-methoxy-3,6-diphenylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

292.10995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.1
[M+Na]+ 315.09917 175.4
[M-H]- 291.10267 175.0
[M+NH4]+ 310.14377 181.1
[M+K]+ 331.07311 170.1
[M+H-H2O]+ 275.10721 158.7
[M+HCOO]- 337.10815 188.6
[M+CH3COO]- 351.12380 178.8
[M+Na-2H]- 313.08462 171.1
[M]+ 292.10940 167.4
[M]- 292.11050 167.4
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