CID 120539

1032-83-3

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=O)N2
InChI
InChI=1S/C15H13ClN2O2/c1-20-12-5-2-10(3-6-12)9-18-14-7-4-11(16)8-13(14)15(19)17-18/h2-8H,9H2,1H3,(H,17,19)
InChIKey
SSNZGVLSPNDFPH-UHFFFAOYSA-N
Compound name
5-chloro-1-[(4-methoxyphenyl)methyl]-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 162.6
[M+Na]+ 311.05578 175.2
[M-H]- 287.05928 167.3
[M+NH4]+ 306.10038 179.1
[M+K]+ 327.02972 168.0
[M+H-H2O]+ 271.06382 154.8
[M+HCOO]- 333.06476 180.3
[M+CH3COO]- 347.08041 175.3
[M+Na-2H]- 309.04123 167.4
[M]+ 288.06601 167.9
[M]- 288.06711 167.9
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