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]+ 193.06078 137.5
[M+Na]+ 215.04272 145.7
[M-H]- 191.04622 141.1
[M+NH4]+ 210.08732 157.7
[M+K]+ 231.01666 139.5
[M+H-H2O]+ 175.05076 135.9
[M+HCOO]- 237.05170 161.4
[M+CH3COO]- 251.06735 176.4
[M+Na-2H]- 213.02817 145.4
[M]+ 192.05295 136.1
[M]- 192.05405 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