CID 85944967

666177-00-0

Structural Information

Molecular Formula

C₈H₅ClN₂O

SMILES

C1=CC=C2C(=C1)C=NN2C(=O)Cl

InChI

InChI=1S/C8H5ClN2O/c9-8(12)11-7-4-2-1-3-6(7)5-10-11/h1-5H

InChIKey

MPLONQNKODOGEV-UHFFFAOYSA-N

Compound name

indazole-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 180.00903 Da
Monoisotopic Mass: 2.5
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]+	181.01631	132.0
[M+Na]+	202.99825	144.1
[M-H]-	179.00175	134.6
[M+NH4]+	198.04285	153.3
[M+K]+	218.97219	139.9
[M+H-H2O]+	163.00629	125.7
[M+HCOO]-	225.00723	151.2
[M+CH3COO]-	239.02288	146.6
[M+Na-2H]-	200.98370	139.9
[M]+	180.00848	135.9
[M]-	180.00958	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe