CID 71589159

Iron(3+), tri(3-cyano-1,4-dioxidoquinoxalin-2-yl)azanide

Structural Information

Molecular Formula
C9H5N4O2
SMILES
C1=CC=C2C(=C1)N(C(=N)C(=[N+]2[O-])C#N)[O-]
InChI
InChI=1S/C9H5N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4,11H/q-1
InChIKey
ACZLEJRFAOPKAQ-UHFFFAOYSA-N
Compound name
3-imino-1,4-dioxidoquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.04124 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04852 145.5
[M+Na]+ 224.03046 156.5
[M-H]- 200.03396 144.5
[M+NH4]+ 219.07506 159.1
[M+K]+ 240.00440 147.9
[M+H-H2O]+ 184.03850 137.9
[M+HCOO]- 246.03944 162.8
[M+CH3COO]- 260.05509 188.4
[M+Na-2H]- 222.01591 153.4
[M]+ 201.04069 136.6
[M]- 201.04179 136.6
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.