CID 62706698

4,6-dichloro-5-iodopyrimidin-2-amine

Structural Information

Molecular Formula

C₄H₂Cl₂IN₃

SMILES

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

InChI

InChI=1S/C4H2Cl2IN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)

InChIKey

IQVQQIGQOSEIAX-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-iodopyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 288.86703 Da
Monoisotopic Mass: 2.4
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]+	289.87431	133.9
[M+Na]+	311.85625	138.8
[M-H]-	287.85975	127.8
[M+NH4]+	306.90085	147.7
[M+K]+	327.83019	139.9
[M+H-H2O]+	271.86429	125.2
[M+HCOO]-	333.86523	143.3
[M+CH3COO]-	347.88088	189.1
[M+Na-2H]-	309.84170	128.7
[M]+	288.86648	132.6
[M]-	288.86758	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe