CID 155892681

7-bromo-8-fluoroquinazolin-2-amine

Structural Information

Molecular Formula
C8H5BrFN3
SMILES
C1=CC(=C(C2=NC(=NC=C21)N)F)Br
InChI
InChI=1S/C8H5BrFN3/c9-5-2-1-4-3-12-8(11)13-7(4)6(5)10/h1-3H,(H2,11,12,13)
InChIKey
WFRNZZSUMCCHOK-UHFFFAOYSA-N
Compound name
7-bromo-8-fluoroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.96509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.972366 140.4
[M+Na]+ 263.954308 154.4
[M-H]- 239.957814 144.1
[M+NH4]+ 258.998913 160.1
[M+K]+ 279.928248 142.0
[M+H-H2O]+ 223.962350 138.6
[M+HCOO]- 285.963291 159.6
[M+CH3COO]- 299.978941 155.2
[M+Na-2H]- 261.939756 149.8
[M]+ 240.96454142 156.9
[M]- 240.96563858 156.9
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

patents stripe