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: 147
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]+	195.031966	136.4
[M+Na]+	217.013908	148.8
[M-H]-	193.017414	139.1
[M+NH4]+	212.058513	157.3
[M+K]+	232.987848	144.4
[M+H-H2O]+	177.021950	130.1
[M+HCOO]-	239.022891	155.1
[M+CH3COO]-	253.038541	150.9
[M+Na-2H]-	214.999356	143.0
[M]+	194.02414142	141.0
[M]-	194.02523858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe