CID 70387

2,5-diphenylfuran

Structural Information

Molecular Formula
C16H12O
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H
InChIKey
VUPDHIIPAKIKAB-UHFFFAOYSA-N
Compound name
2,5-diphenylfuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1821
Patents

220.08882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09610 147.1
[M+Na]+ 243.07804 155.4
[M-H]- 219.08154 157.9
[M+NH4]+ 238.12264 165.5
[M+K]+ 259.05198 152.1
[M+H-H2O]+ 203.08608 139.9
[M+HCOO]- 265.08702 172.4
[M+CH3COO]- 279.10267 161.2
[M+Na-2H]- 241.06349 153.9
[M]+ 220.08827 147.5
[M]- 220.08937 147.5
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