CID 19939083

1378808-30-0

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

10
Patents

163.05458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.061856 129.8
[M+Na]+ 186.043798 140.4
[M-H]- 162.047304 130.5
[M+NH4]+ 181.088403 148.7
[M+K]+ 202.017738 136.5
[M+H-H2O]+ 146.051840 121.7
[M+HCOO]- 208.052781 151.4
[M+CH3COO]- 222.068431 143.2
[M+Na-2H]- 184.029246 139.3
[M]+ 163.05403142 127.2
[M]- 163.05512858 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

No literature data available for this compound.

Patent stripe

patents stripe