CID 24728192

4-nitro-1h-indazol-3-ol

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NN2
InChI
InChI=1S/C7H5N3O3/c11-7-6-4(8-9-7)2-1-3-5(6)10(12)13/h1-3H,(H2,8,9,11)
InChIKey
JIYHKUVJNVDYQH-UHFFFAOYSA-N
Compound name
4-nitro-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.0331 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.040376 129.5
[M+Na]+ 202.022318 139.7
[M-H]- 178.025824 130.2
[M+NH4]+ 197.066923 147.7
[M+K]+ 217.996258 131.6
[M+H-H2O]+ 162.030360 127.9
[M+HCOO]- 224.031301 152.7
[M+CH3COO]- 238.046951 167.1
[M+Na-2H]- 200.007766 139.9
[M]+ 179.03255142 127.1
[M]- 179.03364858 127.1
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