CID 362365

Nsc626111

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])[O-]
InChI
InChI=1S/C14H8N2O4/c17-14-11-7-6-10(16(19)20)8-12(11)15(18)13(14)9-4-2-1-3-5-9/h1-8H
InChIKey
MEVHNAIHZXKVHL-UHFFFAOYSA-N
Compound name
6-nitro-1-oxido-2-phenylindol-1-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 161.1
[M+Na]+ 291.03762 168.9
[M-H]- 267.04112 167.0
[M+NH4]+ 286.08222 176.3
[M+K]+ 307.01156 156.0
[M+H-H2O]+ 251.04566 162.4
[M+HCOO]- 313.04660 184.1
[M+CH3COO]- 327.06225 183.1
[M+Na-2H]- 289.02307 169.4
[M]+ 268.04785 158.2
[M]- 268.04895 158.2
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.