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: 1
Patents: 288.06656 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.073836	162.6
[M+Na]+	311.055778	175.2
[M-H]-	287.059284	167.3
[M+NH4]+	306.100383	179.1
[M+K]+	327.029718	168.0
[M+H-H2O]+	271.063820	154.8
[M+HCOO]-	333.064761	180.3
[M+CH3COO]-	347.080411	175.3
[M+Na-2H]-	309.041226	167.4
[M]+	288.06601142	167.9
[M]-	288.06710858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe