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

0
Patents

240.96509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.97237 140.4
[M+Na]+ 263.95431 154.4
[M-H]- 239.95781 144.1
[M+NH4]+ 258.99891 160.1
[M+K]+ 279.92825 142.0
[M+H-H2O]+ 223.96235 138.6
[M+HCOO]- 285.96329 159.6
[M+CH3COO]- 299.97894 155.2
[M+Na-2H]- 261.93976 149.8
[M]+ 240.96454 156.9
[M]- 240.96564 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

No patent data available for this compound.