CID 12795369

4-chloro-5-iodo-6-methylpyrimidine

Structural Information

Molecular Formula
C5H4ClIN2
SMILES
CC1=C(C(=NC=N1)Cl)I
InChI
InChI=1S/C5H4ClIN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKey
PJJJWNAVCYJROL-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

literature stripe

Patent stripe

patents stripe