CID 83877344

3-nitro-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=C(C=C1C=O)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-5-6-1-2-8-7(3-6)9(4-10-8)11(13)14/h1-5,10H
InChIKey
YHHHKYDRFOWBIO-UHFFFAOYSA-N
Compound name
3-nitro-1H-indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03784 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 134.7
[M+Na]+ 213.02706 144.5
[M-H]- 189.03056 137.7
[M+NH4]+ 208.07166 154.5
[M+K]+ 229.00100 137.0
[M+H-H2O]+ 173.03510 133.4
[M+HCOO]- 235.03604 160.1
[M+CH3COO]- 249.05169 173.0
[M+Na-2H]- 211.01251 144.2
[M]+ 190.03729 134.4
[M]- 190.03839 134.4
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.