CID 392607

6,6-bis(p-methoxyphenyl)fulvene

Structural Information

Molecular Formula
C20H18O2
SMILES
COC1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18O2/c1-21-18-11-7-16(8-12-18)20(15-5-3-4-6-15)17-9-13-19(22-2)14-10-17/h3-14H,1-2H3
InChIKey
ZTPIYEQWTZQQCA-UHFFFAOYSA-N
Compound name
1-[cyclopenta-2,4-dien-1-ylidene-(4-methoxyphenyl)methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

290.13068 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 169.0
[M+Na]+ 313.11990 176.1
[M-H]- 289.12340 179.0
[M+NH4]+ 308.16450 185.9
[M+K]+ 329.09384 171.4
[M+H-H2O]+ 273.12794 160.8
[M+HCOO]- 335.12888 193.2
[M+CH3COO]- 349.14453 201.5
[M+Na-2H]- 311.10535 170.9
[M]+ 290.13013 170.5
[M]- 290.13123 170.5
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