CID 4102983

20927-96-2

Structural Information

Molecular Formula
C13H7NO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C#N
InChI
InChI=1S/C13H7NO/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7H
InChIKey
JMLMVVOQPAPVOQ-UHFFFAOYSA-N
Compound name
dibenzofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

193.05276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.060036 143.3
[M+Na]+ 216.041978 157.7
[M-H]- 192.045484 148.9
[M+NH4]+ 211.086583 163.5
[M+K]+ 232.015918 150.8
[M+H-H2O]+ 176.050020 131.2
[M+HCOO]- 238.050961 164.0
[M+CH3COO]- 252.066611 156.8
[M+Na-2H]- 214.027426 152.0
[M]+ 193.05221142 141.6
[M]- 193.05330858 141.6
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