CID 7144652

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

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)C(=O)O
InChI
InChI=1S/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKey
MLTOGNYOQHDCAN-UHFFFAOYSA-N
Compound name
5-nitro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
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

literature stripe

Patent stripe

patents stripe