CID 24729221

1000342-80-2

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

C1C2=CN=C(C=C2NC1=O)Cl

InChI

InChI=1S/C7H5ClN2O/c8-6-2-5-4(3-9-6)1-7(11)10-5/h2-3H,1H2,(H,10,11)

InChIKey

RHUOLXNCHDDKTB-UHFFFAOYSA-N

Compound name

6-chloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 168.00903 Da
Monoisotopic Mass: 0.7
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]+	169.01631	129.7
[M+Na]+	190.99825	143.3
[M+NH4]+	186.04285	138.6
[M+K]+	206.97219	138.4
[M-H]-	167.00175	130.4
[M+Na-2H]-	188.98370	135.3
[M]+	168.00848	132.0
[M]-	168.00958	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe