CID 104782260

8-bromo-4-chloro-7-methylquinazoline

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
CC1=C(C2=C(C=C1)C(=NC=N2)Cl)Br
InChI
InChI=1S/C9H6BrClN2/c1-5-2-3-6-8(7(5)10)12-4-13-9(6)11/h2-4H,1H3
InChIKey
UFGFPQAUICHUAA-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-7-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]+ 256.947566 140.8
[M+Na]+ 278.929508 156.2
[M-H]- 254.933014 146.0
[M+NH4]+ 273.974113 161.5
[M+K]+ 294.903448 143.1
[M+H-H2O]+ 238.937550 141.0
[M+HCOO]- 300.938491 155.9
[M+CH3COO]- 314.954141 156.4
[M+Na-2H]- 276.914956 150.8
[M]+ 255.93974142 162.1
[M]- 255.94083858 162.1
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.