CID 101406065

176433-65-1

Structural Information

Molecular Formula

C₈H₆ClNO₃

SMILES

COC(=O)C1=CC(=C(N=C1)Cl)C=O

InChI

InChI=1S/C8H6ClNO3/c1-13-8(12)5-2-6(4-11)7(9)10-3-5/h2-4H,1H3

InChIKey

HPPCPWQJJUXARS-UHFFFAOYSA-N

Compound name

methyl 6-chloro-5-formylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 199.00362 Da
Monoisotopic Mass: 1.1
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]+	200.01090	136.4
[M+Na]+	221.99284	150.2
[M+NH4]+	217.03744	143.8
[M+K]+	237.96678	144.4
[M-H]-	197.99634	136.9
[M+Na-2H]-	219.97829	142.7
[M]+	199.00307	138.6
[M]-	199.00417	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe