CID 248130

4,6,8-trichloroquinazoline

Structural Information

Molecular Formula
C8H3Cl3N2
SMILES
C1=C(C=C(C2=C1C(=NC=N2)Cl)Cl)Cl
InChI
InChI=1S/C8H3Cl3N2/c9-4-1-5-7(6(10)2-4)12-3-13-8(5)11/h1-3H
InChIKey
OXWAQRCVLUTMKY-UHFFFAOYSA-N
Compound name
4,6,8-trichloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

231.93619 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94347 139.4
[M+Na]+ 254.92541 152.1
[M-H]- 230.92891 139.7
[M+NH4]+ 249.97001 157.3
[M+K]+ 270.89935 145.9
[M+H-H2O]+ 214.93345 133.8
[M+HCOO]- 276.93439 146.0
[M+CH3COO]- 290.95004 151.9
[M+Na-2H]- 252.91086 146.7
[M]+ 231.93564 142.6
[M]- 231.93674 142.6
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