CID 53399332

5-chloro-6-methoxy-1h-indazole

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

COC1=C(C=C2C=NNC2=C1)Cl

InChI

InChI=1S/C8H7ClN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)

InChIKey

GAMOCUFAJHKSDQ-UHFFFAOYSA-N

Compound name

5-chloro-6-methoxy-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.02469 Da
Monoisotopic Mass: 2.2
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]+	183.03197	132.9
[M+Na]+	205.01391	145.4
[M-H]-	181.01741	134.3
[M+NH4]+	200.05851	153.8
[M+K]+	220.98785	140.5
[M+H-H2O]+	165.02195	127.0
[M+HCOO]-	227.02289	151.4
[M+CH3COO]-	241.03854	147.3
[M+Na-2H]-	202.99936	140.8
[M]+	182.02414	136.7
[M]-	182.02524	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe