CID 120951

1-(p-chlorobenzyl)-1h-indazol-3-ol

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1=CC=C2C(=C1)C(=O)NN2CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2O/c15-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)16-17/h1-8H,9H2,(H,16,18)
InChIKey
CJBXLBPSBLXDJO-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

258.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 154.8
[M+Na]+ 281.04522 167.2
[M-H]- 257.04872 159.3
[M+NH4]+ 276.08982 172.3
[M+K]+ 297.01916 159.6
[M+H-H2O]+ 241.05326 147.2
[M+HCOO]- 303.05420 172.7
[M+CH3COO]- 317.06985 167.8
[M+Na-2H]- 279.03067 160.8
[M]+ 258.05545 158.0
[M]- 258.05655 158.0
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