CID 73554332

8-bromo-2-chloro-5-methylquinazoline

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
CC1=C2C=NC(=NC2=C(C=C1)Br)Cl
InChI
InChI=1S/C9H6BrClN2/c1-5-2-3-7(10)8-6(5)4-12-9(11)13-8/h2-4H,1H3
InChIKey
OBUNLPITAOEUQA-UHFFFAOYSA-N
Compound name
8-bromo-2-chloro-5-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94757 143.5
[M+Na]+ 278.92951 150.8
[M+NH4]+ 273.97411 149.6
[M+K]+ 294.90345 148.7
[M-H]- 254.93301 144.8
[M+Na-2H]- 276.91496 148.6
[M]+ 255.93974 144.2
[M]- 255.94084 144.2
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.