CID 19939083

8-fluoroquinazolin-4-amine

Structural Information

Molecular Formula
C8H6FN3
SMILES
C1=CC2=C(C(=C1)F)N=CN=C2N
InChI
InChI=1S/C8H6FN3/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H,(H2,10,11,12)
InChIKey
HKXMPPUOIKJKKU-UHFFFAOYSA-N
Compound name
8-fluoroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 129.2
[M+Na]+ 186.04380 143.1
[M+NH4]+ 181.08840 137.8
[M+K]+ 202.01774 136.3
[M-H]- 162.04730 130.7
[M+Na-2H]- 184.02925 136.9
[M]+ 163.05403 131.5
[M]- 163.05513 131.5
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