CID 263719

14063-00-4

Structural Information

Molecular Formula
C13H7N3O2
SMILES
C1=CC=C(C=C1)C2C3(C2(C(=O)NC3=O)C#N)C#N
InChI
InChI=1S/C13H7N3O2/c14-6-12-9(8-4-2-1-3-5-8)13(12,7-15)11(18)16-10(12)17/h1-5,9H,(H,16,17,18)
InChIKey
XXMGUTBJCCMNMD-UHFFFAOYSA-N
Compound name
2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06111 162.4
[M+Na]+ 260.04305 182.9
[M-H]- 236.04655 170.0
[M+NH4]+ 255.08765 176.7
[M+K]+ 276.01699 169.7
[M+H-H2O]+ 220.05109 152.6
[M+HCOO]- 282.05203 175.5
[M+CH3COO]- 296.06768 172.5
[M+Na-2H]- 258.02850 167.3
[M]+ 237.05328 159.1
[M]- 237.05438 159.1
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.