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
3
Annotation Hits

2
References

17
Patents

260.03525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.042526 153.6
[M+Na]+ 283.024468 166.5
[M-H]- 259.027974 157.5
[M+NH4]+ 278.069073 170.7
[M+K]+ 298.998408 159.6
[M+H-H2O]+ 243.032510 146.7
[M+HCOO]- 305.033451 170.5
[M+CH3COO]- 319.049101 166.6
[M+Na-2H]- 281.009916 159.3
[M]+ 260.03470142 157.3
[M]- 260.03579858 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