CID 3264479

7364-33-2

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NNC2=O
InChI
InChI=1S/C7H5N3O3/c11-7-5-2-1-4(10(12)13)3-6(5)8-9-7/h1-3H,(H2,8,9,11)
InChIKey
BNLMXABHKLAIAG-UHFFFAOYSA-N
Compound name
6-nitro-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

121
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

literature stripe

Patent stripe

patents stripe