CID 4091945

2-ethyldibenzofuran

Structural Information

Molecular Formula
C14H12O
SMILES
CCC1=CC2=C(C=C1)OC3=CC=CC=C32
InChI
InChI=1S/C14H12O/c1-2-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-9H,2H2,1H3
InChIKey
DJTHVLRZQJQQLK-UHFFFAOYSA-N
Compound name
2-ethyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

196.08882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 139.4
[M+Na]+ 219.07804 150.7
[M-H]- 195.08154 146.5
[M+NH4]+ 214.12264 162.0
[M+K]+ 235.05198 147.4
[M+H-H2O]+ 179.08608 134.0
[M+HCOO]- 241.08702 163.7
[M+CH3COO]- 255.10267 154.7
[M+Na-2H]- 217.06349 148.8
[M]+ 196.08827 143.7
[M]- 196.08937 143.7
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