CID 21939352

2,4-dichloro-5-(iodomethyl)pyrimidine

Structural Information

Molecular Formula
C5H3Cl2IN2
SMILES
C1=C(C(=NC(=N1)Cl)Cl)CI
InChI
InChI=1S/C5H3Cl2IN2/c6-4-3(1-8)2-9-5(7)10-4/h2H,1H2
InChIKey
NEIMQFSSWKAYTR-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(iodomethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

287.8718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.87908 129.4
[M+Na]+ 310.86102 133.9
[M-H]- 286.86452 123.2
[M+NH4]+ 305.90562 143.6
[M+K]+ 326.83496 135.2
[M+H-H2O]+ 270.86906 120.5
[M+HCOO]- 332.87000 138.2
[M+CH3COO]- 346.88565 187.1
[M+Na-2H]- 308.84647 125.6
[M]+ 287.87125 129.7
[M]- 287.87235 129.7
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