CID 23118859

6-nitro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NN=C2C(=O)O
InChI
InChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKey
AZQFFHKDZNETBK-UHFFFAOYSA-N
Compound name
6-nitro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

207.028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.035276 136.5
[M+Na]+ 230.017218 145.6
[M-H]- 206.020724 137.1
[M+NH4]+ 225.061823 153.3
[M+K]+ 245.991158 138.5
[M+H-H2O]+ 190.025260 134.6
[M+HCOO]- 252.026201 158.5
[M+CH3COO]- 266.041851 173.0
[M+Na-2H]- 228.002666 145.4
[M]+ 207.02745142 135.1
[M]- 207.02854858 135.1
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