CID 13341112

13484-51-0

Structural Information

Molecular Formula

C₄H₂Cl₃N₃

SMILES

C1(=C(N=C(C(=N1)Cl)Cl)Cl)N

InChI

InChI=1S/C4H2Cl3N3/c5-1-2(6)10-4(8)3(7)9-1/h(H2,8,10)

InChIKey

NRDPLJROSGVEDO-UHFFFAOYSA-N

Compound name

3,5,6-trichloropyrazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 196.93143 Da
Monoisotopic Mass: 2.3
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]+	197.93871	132.3
[M+Na]+	219.92065	144.2
[M-H]-	195.92415	131.5
[M+NH4]+	214.96525	150.1
[M+K]+	235.89459	138.9
[M+H-H2O]+	179.92869	127.6
[M+HCOO]-	241.92963	140.6
[M+CH3COO]-	255.94528	183.6
[M+Na-2H]-	217.90610	137.7
[M]+	196.93088	133.1
[M]-	196.93198	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe