CID 7022055

106649-02-9

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CN1C2=CC=CC=C2C(=N1)C(=O)Cl

InChI

InChI=1S/C9H7ClN2O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3

InChIKey

NPNWVMBPSINFBV-UHFFFAOYSA-N

Compound name

1-methylindazole-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 194.02469 Da
Monoisotopic Mass: 2.4
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]+	195.03197	135.9
[M+Na]+	217.01391	151.2
[M+NH4]+	212.05851	144.9
[M+K]+	232.98785	145.9
[M-H]-	193.01741	137.3
[M+Na-2H]-	214.99936	143.1
[M]+	194.02414	138.8
[M]-	194.02524	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe