CID 135566322

4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC2=C(C=C1O)NN=C2C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
InChIKey
WLDZDEMGKFWJNR-UHFFFAOYSA-N
Compound name
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

242.06914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 151.0
[M+Na]+ 265.058358 162.1
[M-H]- 241.061864 152.5
[M+NH4]+ 260.102963 166.4
[M+K]+ 281.032298 155.7
[M+H-H2O]+ 225.066400 144.2
[M+HCOO]- 287.067341 169.6
[M+CH3COO]- 301.082991 162.9
[M+Na-2H]- 263.043806 156.4
[M]+ 242.06859142 150.5
[M]- 242.06968858 150.5
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