CID 71758449

4-methoxy-5-nitro-1h-indazole

Structural Information

Molecular Formula
C8H7N3O3
SMILES
COC1=C(C=CC2=C1C=NN2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O3/c1-14-8-5-4-9-10-6(5)2-3-7(8)11(12)13/h2-4H,1H3,(H,9,10)
InChIKey
GSFSIGXIWZWYOK-UHFFFAOYSA-N
Compound name
4-methoxy-5-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 134.8
[M+Na]+ 216.037958 144.7
[M-H]- 192.041464 136.6
[M+NH4]+ 211.082563 153.2
[M+K]+ 232.011898 137.9
[M+H-H2O]+ 176.046000 132.6
[M+HCOO]- 238.046941 159.0
[M+CH3COO]- 252.062591 173.8
[M+Na-2H]- 214.023406 145.1
[M]+ 193.04819142 135.3
[M]- 193.04928858 135.3
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