CID 247267

4,8-dichloroquinazoline

Structural Information

Molecular Formula
C8H4Cl2N2
SMILES
C1=CC2=C(C(=C1)Cl)N=CN=C2Cl
InChI
InChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
InChIKey
LGRUYTZVYJCUTH-UHFFFAOYSA-N
Compound name
4,8-dichloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

197.97516 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98244 133.5
[M+Na]+ 220.96438 145.7
[M-H]- 196.96788 134.9
[M+NH4]+ 216.00898 152.7
[M+K]+ 236.93832 140.0
[M+H-H2O]+ 180.97242 127.4
[M+HCOO]- 242.97336 145.7
[M+CH3COO]- 256.98901 147.0
[M+Na-2H]- 218.94983 142.8
[M]+ 197.97461 136.4
[M]- 197.97571 136.4
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