CID 11151778

Me-143

Structural Information

Molecular Formula
C21H18O4
SMILES
C1C(C(C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H18O4/c22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h1-11,19,21-24H,12H2
InChIKey
VXHSDGZMRLGSEJ-UHFFFAOYSA-N
Compound name
3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

117
Patents

334.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 177.7
[M+Na]+ 357.109718 184.9
[M-H]- 333.113224 185.4
[M+NH4]+ 352.154323 188.8
[M+K]+ 373.083658 180.1
[M+H-H2O]+ 317.117760 168.9
[M+HCOO]- 379.118701 193.1
[M+CH3COO]- 393.134351 187.6
[M+Na-2H]- 355.095166 181.4
[M]+ 334.11995142 175.3
[M]- 334.12104858 175.3
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