CID 43489

Dibenzofuran, 4-methyl-

Structural Information

Molecular Formula
C13H10O
SMILES
CC1=C2C(=CC=C1)C3=CC=CC=C3O2
InChI
InChI=1S/C13H10O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
InChIKey
XLTFRTTTZWMJJQ-UHFFFAOYSA-N
Compound name
4-methyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2170
Patents

182.07317 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 134.4
[M+Na]+ 205.06239 146.2
[M-H]- 181.06589 141.7
[M+NH4]+ 200.10699 157.7
[M+K]+ 221.03633 143.2
[M+H-H2O]+ 165.07043 129.3
[M+HCOO]- 227.07137 159.1
[M+CH3COO]- 241.08702 150.2
[M+Na-2H]- 203.04784 144.5
[M]+ 182.07262 138.4
[M]- 182.07372 138.4
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