CID 11173809

4-chloro-6-iodoquinazoline

Structural Information

Molecular Formula
C8H4ClIN2
SMILES
C1=CC2=C(C=C1I)C(=NC=N2)Cl
InChI
InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
InChIKey
BDAIUOPDSRAOKI-UHFFFAOYSA-N
Compound name
4-chloro-6-iodoquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

713
Patents

289.91077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.918046 131.8
[M+Na]+ 312.899988 136.3
[M-H]- 288.903494 126.9
[M+NH4]+ 307.944593 146.5
[M+K]+ 328.873928 137.6
[M+H-H2O]+ 272.908030 121.8
[M+HCOO]- 334.908971 144.5
[M+CH3COO]- 348.924621 141.7
[M+Na-2H]- 310.885436 130.4
[M]+ 289.91022142 131.4
[M]- 289.91131858 131.4
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