CID 3104870

4222-20-2

Structural Information

Molecular Formula
C25H18O
SMILES
C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H
InChIKey
UBNNJVRNPJVYBU-UHFFFAOYSA-N
Compound name
3,3-diphenylbenzo[f]chromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

420
Patents

334.13577 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.143046 182.0
[M+Na]+ 357.124988 189.9
[M-H]- 333.128494 193.4
[M+NH4]+ 352.169593 197.0
[M+K]+ 373.098928 183.6
[M+H-H2O]+ 317.133030 170.5
[M+HCOO]- 379.133971 200.7
[M+CH3COO]- 393.149621 192.6
[M+Na-2H]- 355.110436 190.5
[M]+ 334.13522142 180.4
[M]- 334.13631858 180.4
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