CID 13157520

4-chloro-2-(chloromethyl)quinazoline

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)CCl)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-5-8-12-7-4-2-1-3-6(7)9(11)13-8/h1-4H,5H2
InChIKey
PMBABTLGYWFWBZ-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

211.9908 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99808 139.2
[M+Na]+ 234.98002 156.8
[M+NH4]+ 230.02462 149.3
[M+K]+ 250.95396 147.4
[M-H]- 210.98352 142.0
[M+Na-2H]- 232.96547 148.2
[M]+ 211.99025 143.3
[M]- 211.99135 143.3
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

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