CID 72211736

1060810-36-7

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

COC1=NC=C(C(=C1)C=O)Cl

InChI

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

InChIKey

LWEZPNUSAGRBAV-UHFFFAOYSA-N

Compound name

5-chloro-2-methoxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 171.00871 Da
Monoisotopic Mass: 1.2
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	128.4
[M+Na]+	193.99793	139.6
[M-H]-	170.00143	131.4
[M+NH4]+	189.04253	148.9
[M+K]+	209.97187	136.7
[M+H-H2O]+	154.00597	123.3
[M+HCOO]-	216.00691	148.5
[M+CH3COO]-	230.02256	177.2
[M+Na-2H]-	191.98338	136.1
[M]+	171.00816	133.0
[M]-	171.00926	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe