CID 53435953

6-iodoquinazoline

Structural Information

Molecular Formula
C8H5IN2
SMILES
C1=CC2=NC=NC=C2C=C1I
InChI
InChI=1S/C8H5IN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKey
BLJDQJLSUDXUGL-UHFFFAOYSA-N
Compound name
6-iodoquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

255.94975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95703 128.6
[M+Na]+ 278.93897 131.6
[M-H]- 254.94247 123.6
[M+NH4]+ 273.98357 143.5
[M+K]+ 294.91291 134.4
[M+H-H2O]+ 238.94701 118.0
[M+HCOO]- 300.94795 145.7
[M+CH3COO]- 314.96360 138.5
[M+Na-2H]- 276.92442 128.2
[M]+ 255.94920 126.0
[M]- 255.95030 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.