CID 58204318

1261493-38-2

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

COC1=NC=C(C(=C1)Cl)C#N

InChI

InChI=1S/C7H5ClN2O/c1-11-7-2-6(8)5(3-9)4-10-7/h2,4H,1H3

InChIKey

VEUHIOALPSVHJH-UHFFFAOYSA-N

Compound name

4-chloro-6-methoxypyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 168.00903 Da
Monoisotopic Mass: 1.5
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]+	169.01631	128.6
[M+Na]+	190.99825	141.0
[M-H]-	167.00175	130.9
[M+NH4]+	186.04285	147.0
[M+K]+	206.97219	137.4
[M+H-H2O]+	151.00629	116.8
[M+HCOO]-	213.00723	144.9
[M+CH3COO]-	227.02288	189.9
[M+Na-2H]-	188.98370	135.7
[M]+	168.00848	126.8
[M]-	168.00958	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe