CID 15561305

4,6-diiodo-2-methylpyrimidine

Structural Information

Molecular Formula
C5H4I2N2
SMILES
CC1=NC(=CC(=N1)I)I
InChI
InChI=1S/C5H4I2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
InChIKey
PLRCTNAFIAHOAW-UHFFFAOYSA-N
Compound name
4,6-diiodo-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

345.8464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.85368 128.7
[M+Na]+ 368.83562 124.2
[M-H]- 344.83912 118.7
[M+NH4]+ 363.88022 137.6
[M+K]+ 384.80956 134.3
[M+H-H2O]+ 328.84366 116.8
[M+HCOO]- 390.84460 140.2
[M+CH3COO]- 404.86025 197.3
[M+Na-2H]- 366.82107 119.4
[M]+ 345.84585 124.5
[M]- 345.84695 124.5
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