CID 3057157

73972-63-1

Structural Information

Molecular Formula

C₆H₅Cl₃N₂O

SMILES

COC1=NC=C(N=C1Cl)C(Cl)Cl

InChI

InChI=1S/C6H5Cl3N2O/c1-12-6-5(9)11-3(2-10-6)4(7)8/h2,4H,1H3

InChIKey

QMGUSHIZVYNVKJ-UHFFFAOYSA-N

Compound name

3-chloro-5-(dichloromethyl)-2-methoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.94675 Da
Monoisotopic Mass: 2.2
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]+	226.95403	136.4
[M+Na]+	248.93597	147.2
[M-H]-	224.93947	135.8
[M+NH4]+	243.98057	153.3
[M+K]+	264.90991	142.8
[M+H-H2O]+	208.94401	131.2
[M+HCOO]-	270.94495	143.1
[M+CH3COO]-	284.96060	187.0
[M+Na-2H]-	246.92142	141.4
[M]+	225.94620	140.2
[M]-	225.94730	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe