CID 10330947

2,4-dichloro-8-fluoroquinazoline

Structural Information

Molecular Formula
C8H3Cl2FN2
SMILES
C1=CC2=C(C(=C1)F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H3Cl2FN2/c9-7-4-2-1-3-5(11)6(4)12-8(10)13-7/h1-3H
InChIKey
VXSUTXKJWJUPLJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

215.96573 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.973006 135.5
[M+Na]+ 238.954948 148.6
[M-H]- 214.958454 135.8
[M+NH4]+ 233.999553 154.2
[M+K]+ 254.928888 142.4
[M+H-H2O]+ 198.962990 128.6
[M+HCOO]- 260.963931 146.6
[M+CH3COO]- 274.979581 148.7
[M+Na-2H]- 236.940396 143.5
[M]+ 215.96518142 137.8
[M]- 215.96627858 137.8
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