CID 88279

19847-10-0

Structural Information

Molecular Formula

C₅H₃ClN₂O

SMILES

C1=CN=C(C=N1)C(=O)Cl

InChI

InChI=1S/C5H3ClN2O/c6-5(9)4-3-7-1-2-8-4/h1-3H

InChIKey

TXJKATOSKLUITR-UHFFFAOYSA-N

Compound name

pyrazine-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 852
Patents: 141.9934 Da
Monoisotopic Mass: 1.0
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]+	143.00068	121.4
[M+Na]+	164.98262	131.2
[M-H]-	140.98612	122.4
[M+NH4]+	160.02722	140.9
[M+K]+	180.95656	128.6
[M+H-H2O]+	124.99066	115.2
[M+HCOO]-	186.99160	139.4
[M+CH3COO]-	201.00725	170.5
[M+Na-2H]-	162.96807	130.3
[M]+	141.99285	122.8
[M]-	141.99395	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe