CID 104782223

4,5-dichloro-8-methylquinazoline

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
CC1=C2C(=C(C=C1)Cl)C(=NC=N2)Cl
InChI
InChI=1S/C9H6Cl2N2/c1-5-2-3-6(10)7-8(5)12-4-13-9(7)11/h2-4H,1H3
InChIKey
HBMMCEXJOOEPKD-UHFFFAOYSA-N
Compound name
4,5-dichloro-8-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.1
[M+Na]+ 234.98002 157.1
[M+NH4]+ 230.02462 149.3
[M+K]+ 250.95396 147.9
[M-H]- 210.98352 142.1
[M+Na-2H]- 232.96547 147.9
[M]+ 211.99025 143.4
[M]- 211.99135 143.4
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.