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]+ 213.993326 139.2
[M+Na]+ 235.975268 151.5
[M-H]- 211.978774 140.4
[M+NH4]+ 231.019873 157.6
[M+K]+ 251.949208 145.4
[M+H-H2O]+ 195.983310 133.3
[M+HCOO]- 257.984251 151.9
[M+CH3COO]- 271.999901 152.2
[M+Na-2H]- 233.960716 147.1
[M]+ 212.98550142 141.0
[M]- 212.98659858 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.