CID 124123113

Schembl18299124

Structural Information

Molecular Formula

C₉H₇Cl₂NO₃

SMILES

CCOC(=O)C1=NC=C(C(=C1Cl)C=O)Cl

InChI

InChI=1S/C9H7Cl2NO3/c1-2-15-9(14)8-7(11)5(4-13)6(10)3-12-8/h3-4H,2H2,1H3

InChIKey

ROFKLBRCQTUZGH-UHFFFAOYSA-N

Compound name

ethyl 3,5-dichloro-4-formylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 246.9803 Da
Monoisotopic Mass: 2.1
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]+	247.987576	143.6
[M+Na]+	269.969518	155.1
[M-H]-	245.973024	146.1
[M+NH4]+	265.014123	161.6
[M+K]+	285.943458	150.8
[M+H-H2O]+	229.977560	139.0
[M+HCOO]-	291.978501	157.4
[M+CH3COO]-	305.994151	190.4
[M+Na-2H]-	267.954966	147.7
[M]+	246.97975142	150.3
[M]-	246.98084858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe