CID 70819

4,6-dimethyldibenzofuran

Structural Information

Molecular Formula
C14H12O
SMILES
CC1=C2C(=CC=C1)C3=CC=CC(=C3O2)C
InChI
InChI=1S/C14H12O/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
InChIKey
PVBRAGJTHQZENQ-UHFFFAOYSA-N
Compound name
4,6-dimethyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

196.08882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.096096 139.3
[M+Na]+ 219.078038 151.5
[M-H]- 195.081544 146.8
[M+NH4]+ 214.122643 162.3
[M+K]+ 235.051978 148.2
[M+H-H2O]+ 179.086080 134.1
[M+HCOO]- 241.087021 163.5
[M+CH3COO]- 255.102671 154.9
[M+Na-2H]- 217.063486 148.1
[M]+ 196.08827142 144.0
[M]- 196.08936858 144.0
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