CID 11356200

2-iodopyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1682
Patents

205.9341 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.941376 119.5
[M+Na]+ 228.923318 121.7
[M-H]- 204.926824 113.7
[M+NH4]+ 223.967923 135.1
[M+K]+ 244.897258 126.4
[M+H-H2O]+ 188.931360 109.4
[M+HCOO]- 250.932301 137.8
[M+CH3COO]- 264.947951 174.1
[M+Na-2H]- 226.908766 118.2
[M]+ 205.93355142 116.3
[M]- 205.93464858 116.3
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