CID 13492641

5,6-dichloropyridine-2,3-diamine

Structural Information

Molecular Formula

C₅H₅Cl₂N₃

SMILES

C1=C(C(=NC(=C1Cl)Cl)N)N

InChI

InChI=1S/C5H5Cl2N3/c6-2-1-3(8)5(9)10-4(2)7/h1H,8H2,(H2,9,10)

InChIKey

CHGCWQGIACIHHI-UHFFFAOYSA-N

Compound name

5,6-dichloropyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 176.98605 Da
Monoisotopic Mass: 1.4
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]+	177.99333	132.4
[M+Na]+	199.97527	143.6
[M-H]-	175.97877	133.9
[M+NH4]+	195.01987	152.0
[M+K]+	215.94921	138.3
[M+H-H2O]+	159.98331	128.1
[M+HCOO]-	221.98425	147.9
[M+CH3COO]-	235.99990	182.4
[M+Na-2H]-	197.96072	137.6
[M]+	176.98550	131.8
[M]-	176.98660	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe