CID 715331

5-fluoroquinazolin-4-amine

Structural Information

Molecular Formula
C8H6FN3
SMILES
C1=CC2=C(C(=C1)F)C(=NC=N2)N
InChI
InChI=1S/C8H6FN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12)
InChIKey
KKLLTCMELJRTDI-UHFFFAOYSA-N
Compound name
5-fluoroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

163.05458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06186 129.8
[M+Na]+ 186.04380 140.4
[M-H]- 162.04730 130.5
[M+NH4]+ 181.08840 148.7
[M+K]+ 202.01774 136.5
[M+H-H2O]+ 146.05184 121.7
[M+HCOO]- 208.05278 151.4
[M+CH3COO]- 222.06843 143.2
[M+Na-2H]- 184.02925 139.3
[M]+ 163.05403 127.2
[M]- 163.05513 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe