CID 92133445

2-chloro-5-iodo-4-methylpyrimidine

Structural Information

Molecular Formula
C5H4ClIN2
SMILES
CC1=NC(=NC=C1I)Cl
InChI
InChI=1S/C5H4ClIN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3
InChIKey
VKJFXANRRVJVPM-UHFFFAOYSA-N
Compound name
2-chloro-5-iodo-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.91077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.918046 125.9
[M+Na]+ 276.899988 130.2
[M-H]- 252.903494 120.5
[M+NH4]+ 271.944593 141.1
[M+K]+ 292.873928 132.9
[M+H-H2O]+ 236.908030 116.7
[M+HCOO]- 298.908971 139.6
[M+CH3COO]- 312.924621 182.6
[M+Na-2H]- 274.885436 122.6
[M]+ 253.91022142 125.5
[M]- 253.91131858 125.5
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