CID 87813076

4,6-dichloro-8-methylquinazoline

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
CC1=CC(=CC2=C1N=CN=C2Cl)Cl
InChI
InChI=1S/C9H6Cl2N2/c1-5-2-6(10)3-7-8(5)12-4-13-9(7)11/h2-4H,1H3
InChIKey
VYYISKISIGFPBS-UHFFFAOYSA-N
Compound name
4,6-dichloro-8-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.9908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99808 138.3
[M+Na]+ 234.98002 151.0
[M-H]- 210.98352 139.8
[M+NH4]+ 230.02462 157.3
[M+K]+ 250.95396 145.0
[M+H-H2O]+ 194.98806 132.3
[M+HCOO]- 256.98900 150.1
[M+CH3COO]- 271.00465 151.7
[M+Na-2H]- 232.96547 146.3
[M]+ 211.99025 142.0
[M]- 211.99135 142.0
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

No patent data available for this compound.