CID 362453

Nsc626400

Structural Information

Molecular Formula
C16H8N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4[N+]3=O)N2[O-]
InChI
InChI=1S/C16H8N2O4/c19-15-9-5-1-3-7-11(9)17(21)13(15)14-16(20)10-6-2-4-8-12(10)18(14)22/h1-8H
InChIKey
ORSKMIZDJSOETO-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoindol-1-ium-2-ylidene)-1-oxidoindol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05568 166.7
[M+Na]+ 315.03762 177.2
[M-H]- 291.04112 172.8
[M+NH4]+ 310.08222 183.9
[M+K]+ 331.01156 166.7
[M+H-H2O]+ 275.04566 164.2
[M+HCOO]- 337.04660 186.1
[M+CH3COO]- 351.06225 190.9
[M+Na-2H]- 313.02307 169.8
[M]+ 292.04785 164.7
[M]- 292.04895 164.7
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

No patent data available for this compound.