CID 22136519

6-chloro-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula

C₈H₅ClN₂O

SMILES

C1=CC2=C(NN=C2C=C1Cl)C=O

InChI

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

InChIKey

YQELBDVPJNKBAP-UHFFFAOYSA-N

Compound name

6-chloro-2H-indazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 180.00903 Da
Monoisotopic Mass: 2.0
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	131.9
[M+Na]+	202.99825	147.1
[M+NH4]+	198.04285	140.8
[M+K]+	218.97219	141.5
[M-H]-	179.00175	132.9
[M+Na-2H]-	200.98370	139.0
[M]+	180.00848	134.6
[M]-	180.00958	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe