CID 21942648

5-methoxynicotinoyl chloride

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

COC1=CN=CC(=C1)C(=O)Cl

InChI

InChI=1S/C7H6ClNO2/c1-11-6-2-5(7(8)10)3-9-4-6/h2-4H,1H3

InChIKey

RNLSEDVSKZPYSA-UHFFFAOYSA-N

Compound name

5-methoxypyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 171.00871 Da
Monoisotopic Mass: 1.3
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]+	172.01599	128.8
[M+Na]+	193.99793	138.8
[M-H]-	170.00143	131.5
[M+NH4]+	189.04253	148.9
[M+K]+	209.97187	136.2
[M+H-H2O]+	154.00597	123.5
[M+HCOO]-	216.00691	147.9
[M+CH3COO]-	230.02256	176.9
[M+Na-2H]-	191.98338	135.9
[M]+	171.00816	132.4
[M]-	171.00926	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe