CID 104782196

4,6-dichloro-8-fluoroquinazoline

Structural Information

Molecular Formula
C8H3Cl2FN2
SMILES
C1=C(C=C(C2=C1C(=NC=N2)Cl)F)Cl
InChI
InChI=1S/C8H3Cl2FN2/c9-4-1-5-7(6(11)2-4)12-3-13-8(5)10/h1-3H
InChIKey
BVBYNWPRFHMXTC-UHFFFAOYSA-N
Compound name
4,6-dichloro-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.96573 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97301 135.5
[M+Na]+ 238.95495 148.6
[M-H]- 214.95845 135.8
[M+NH4]+ 233.99955 154.2
[M+K]+ 254.92889 142.4
[M+H-H2O]+ 198.96299 128.6
[M+HCOO]- 260.96393 146.6
[M+CH3COO]- 274.97958 148.7
[M+Na-2H]- 236.94040 143.5
[M]+ 215.96518 137.8
[M]- 215.96628 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