CID 363841

2,7-dicyanoxanthone

Structural Information

Molecular Formula
C15H6N2O2
SMILES
C1=CC2=C(C=C1C#N)C(=O)C3=C(O2)C=CC(=C3)C#N
InChI
InChI=1S/C15H6N2O2/c16-7-9-1-3-13-11(5-9)15(18)12-6-10(8-17)2-4-14(12)19-13/h1-6H
InChIKey
CCNZAMXUHSZNLJ-UHFFFAOYSA-N
Compound name
9-oxoxanthene-2,7-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.04292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05020 169.0
[M+Na]+ 269.03214 183.2
[M-H]- 245.03564 173.4
[M+NH4]+ 264.07674 181.0
[M+K]+ 285.00608 174.9
[M+H-H2O]+ 229.04018 153.4
[M+HCOO]- 291.04112 181.1
[M+CH3COO]- 305.05677 176.9
[M+Na-2H]- 267.01759 173.2
[M]+ 246.04237 163.6
[M]- 246.04347 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.