CID 139390

1,2,3,4-tetrahydrodibenzofuran

Structural Information

Molecular Formula
C12H12O
SMILES
C1CCC2=C(C1)C3=CC=CC=C3O2
InChI
InChI=1S/C12H12O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7H,2,4,6,8H2
InChIKey
LREHXNMBUBVFHA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

670
Patents

172.08882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 132.2
[M+Na]+ 195.07804 141.3
[M-H]- 171.08154 138.5
[M+NH4]+ 190.12264 155.3
[M+K]+ 211.05198 138.8
[M+H-H2O]+ 155.08608 126.9
[M+HCOO]- 217.08702 154.3
[M+CH3COO]- 231.10267 146.9
[M+Na-2H]- 193.06349 141.5
[M]+ 172.08827 132.5
[M]- 172.08937 132.5
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