CID 52564

1-indolinecarboxaldehyde, 6-nitro-

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])C=O
InChI
InChI=1S/C9H8N2O3/c12-6-10-4-3-7-1-2-8(11(13)14)5-9(7)10/h1-2,5-6H,3-4H2
InChIKey
MHMYRSLSPGQNPB-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dihydroindole-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

192.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.5
[M+Na]+ 215.042718 145.7
[M-H]- 191.046224 141.1
[M+NH4]+ 210.087323 157.7
[M+K]+ 231.016658 139.5
[M+H-H2O]+ 175.050760 135.9
[M+HCOO]- 237.051701 161.4
[M+CH3COO]- 251.067351 176.4
[M+Na-2H]- 213.028166 145.4
[M]+ 192.05295142 136.1
[M]- 192.05404858 136.1
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

patents stripe