CID 17753392

4-iodopyrimidine

Structural Information

Molecular Formula
C4H3IN2
SMILES
C1=CN=CN=C1I
InChI
InChI=1S/C4H3IN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKey
USYVBQLOSZDDBE-UHFFFAOYSA-N
Compound name
4-iodopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

205.9341 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94138 120.7
[M+Na]+ 228.92332 127.1
[M+NH4]+ 223.96792 125.4
[M+K]+ 244.89726 124.2
[M-H]- 204.92682 116.1
[M+Na-2H]- 226.90877 117.0
[M]+ 205.93355 119.2
[M]- 205.93465 119.2
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