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]+ 180.04038 129.5
[M+Na]+ 202.02232 139.7
[M-H]- 178.02582 130.2
[M+NH4]+ 197.06692 147.7
[M+K]+ 217.99626 131.6
[M+H-H2O]+ 162.03036 127.9
[M+HCOO]- 224.03130 152.7
[M+CH3COO]- 238.04695 167.1
[M+Na-2H]- 200.00777 139.9
[M]+ 179.03255 127.1
[M]- 179.03365 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