CID 611660

6,7-dichloroquinazolin-2-amine

Structural Information

Molecular Formula
C8H5Cl2N3
SMILES
C1=C2C=NC(=NC2=CC(=C1Cl)Cl)N
InChI
InChI=1S/C8H5Cl2N3/c9-5-1-4-3-12-8(11)13-7(4)2-6(5)10/h1-3H,(H2,11,12,13)
InChIKey
OGBCMMGCLNFANJ-UHFFFAOYSA-N
Compound name
6,7-dichloroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.98605 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99333 139.2
[M+Na]+ 235.97527 151.5
[M-H]- 211.97877 140.4
[M+NH4]+ 231.01987 157.6
[M+K]+ 251.94921 145.4
[M+H-H2O]+ 195.98331 133.3
[M+HCOO]- 257.98425 151.9
[M+CH3COO]- 271.99990 152.2
[M+Na-2H]- 233.96072 147.1
[M]+ 212.98550 141.0
[M]- 212.98660 141.0
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.