CID 46855833

6-chloro-5-iodopyrimidin-4-amine

Structural Information

Molecular Formula
C4H3ClIN3
SMILES
C1=NC(=C(C(=N1)Cl)I)N
InChI
InChI=1S/C4H3ClIN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKey
ICVYKJSDWGGRNE-UHFFFAOYSA-N
Compound name
6-chloro-5-iodopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

254.90602 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.91330 130.8
[M+Na]+ 277.89524 134.6
[M-H]- 253.89874 125.0
[M+NH4]+ 272.93984 145.3
[M+K]+ 293.86918 137.0
[M+H-H2O]+ 237.90328 121.3
[M+HCOO]- 299.90422 145.1
[M+CH3COO]- 313.91987 183.6
[M+Na-2H]- 275.88069 126.8
[M]+ 254.90547 128.3
[M]- 254.90657 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe