CID 18796670

2,4-dichloroquinazoline-6-carbonitrile

Structural Information

Molecular Formula
C9H3Cl2N3
SMILES
C1=CC2=C(C=C1C#N)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H3Cl2N3/c10-8-6-3-5(4-12)1-2-7(6)13-9(11)14-8/h1-3H
InChIKey
KHWYUDBVRMAWGX-UHFFFAOYSA-N
Compound name
2,4-dichloroquinazoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

222.9704 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.977676 141.8
[M+Na]+ 245.959618 156.1
[M-H]- 221.963124 142.4
[M+NH4]+ 241.004223 158.1
[M+K]+ 261.933558 148.6
[M+H-H2O]+ 205.967660 129.2
[M+HCOO]- 267.968601 151.0
[M+CH3COO]- 281.984251 153.3
[M+Na-2H]- 243.945066 149.0
[M]+ 222.96985142 139.9
[M]- 222.97094858 139.9
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

patents stripe