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]+ 191.045116 134.7
[M+Na]+ 213.027058 144.5
[M-H]- 189.030564 137.7
[M+NH4]+ 208.071663 154.5
[M+K]+ 229.000998 137.0
[M+H-H2O]+ 173.035100 133.4
[M+HCOO]- 235.036041 160.1
[M+CH3COO]- 249.051691 173.0
[M+Na-2H]- 211.012506 144.2
[M]+ 190.03729142 134.4
[M]- 190.03838858 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.