CID 11368987

3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol

Structural Information

Molecular Formula
C13H9ClN2O2
SMILES
C1=CC(=CC=C1N2C(=C3C=C(C=CC3=N2)O)Cl)O
InChI
InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKey
ZNHQDSBJVFFIAK-UHFFFAOYSA-N
Compound name
3-chloro-2-(4-hydroxyphenyl)indazol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

11
Patents

260.03525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04253 153.6
[M+Na]+ 283.02447 166.5
[M-H]- 259.02797 157.5
[M+NH4]+ 278.06907 170.7
[M+K]+ 298.99841 159.6
[M+H-H2O]+ 243.03251 146.7
[M+HCOO]- 305.03345 170.5
[M+CH3COO]- 319.04910 166.6
[M+Na-2H]- 281.00992 159.3
[M]+ 260.03470 157.3
[M]- 260.03580 157.3
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