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

112
Patents

207.028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03528 136.5
[M+Na]+ 230.01722 145.6
[M-H]- 206.02072 137.1
[M+NH4]+ 225.06182 153.3
[M+K]+ 245.99116 138.5
[M+H-H2O]+ 190.02526 134.6
[M+HCOO]- 252.02620 158.5
[M+CH3COO]- 266.04185 173.0
[M+Na-2H]- 228.00267 145.4
[M]+ 207.02745 135.1
[M]- 207.02855 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