CID 817368

4-iodo-6-phenylpyrimidine

Structural Information

Molecular Formula
C10H7IN2
SMILES
C1=CC=C(C=C1)C2=CC(=NC=N2)I
InChI
InChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
ZTCJXHNJVLUUMR-UHFFFAOYSA-N
Compound name
4-iodo-6-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

179
Patents

281.9654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97268 139.5
[M+Na]+ 304.95462 141.4
[M-H]- 280.95812 136.2
[M+NH4]+ 299.99922 151.9
[M+K]+ 320.92856 143.6
[M+H-H2O]+ 264.96266 127.6
[M+HCOO]- 326.96360 157.2
[M+CH3COO]- 340.97925 148.5
[M+Na-2H]- 302.94007 137.1
[M]+ 281.96485 136.0
[M]- 281.96595 136.0
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