CID 136548583

1909336-80-6

Structural Information

Molecular Formula
C8H4FIN2O
SMILES
C1=C(C=C(C2=C1C(=O)NC=N2)I)F
InChI
InChI=1S/C8H4FIN2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3H,(H,11,12,13)
InChIKey
XPAVOKIXWXFPAT-UHFFFAOYSA-N
Compound name
6-fluoro-8-iodo-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.94252 134.7
[M+Na]+ 312.92446 139.2
[M-H]- 288.92796 127.8
[M+NH4]+ 307.96906 148.0
[M+K]+ 328.89840 140.6
[M+H-H2O]+ 272.93250 123.7
[M+HCOO]- 334.93344 149.6
[M+CH3COO]- 348.94909 143.9
[M+Na-2H]- 310.90991 131.7
[M]+ 289.93469 130.7
[M]- 289.93579 130.7
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.