CID 3497178

302913-43-5

Structural Information

Molecular Formula
C15H9FI2N2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3I)I)F
InChI
InChI=1S/C15H9FI2N2O/c16-12-4-2-1-3-9(12)7-20-8-19-14-11(15(20)21)5-10(17)6-13(14)18/h1-6,8H,7H2
InChIKey
LNYAKZNABVBGAE-UHFFFAOYSA-N
Compound name
3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.87885 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.88613 166.0
[M+Na]+ 528.86807 162.3
[M-H]- 504.87157 157.4
[M+NH4]+ 523.91267 170.1
[M+K]+ 544.84201 168.5
[M+H-H2O]+ 488.87611 150.6
[M+HCOO]- 550.87705 174.6
[M+CH3COO]- 564.89270 168.8
[M+Na-2H]- 526.85352 154.9
[M]+ 505.87830 161.6
[M]- 505.87940 161.6
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.