CID 17750034

6-bromo-quinazoline

Structural Information

Molecular Formula
C8H5BrN2
SMILES
C1=CC2=NC=NC=C2C=C1Br
InChI
InChI=1S/C8H5BrN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKey
FLQBSQZDZFVMTO-UHFFFAOYSA-N
Compound name
6-bromoquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

207.96361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97089 131.8
[M+Na]+ 230.95283 145.1
[M-H]- 206.95633 136.8
[M+NH4]+ 225.99743 153.0
[M+K]+ 246.92677 134.1
[M+H-H2O]+ 190.96087 131.6
[M+HCOO]- 252.96181 151.9
[M+CH3COO]- 266.97746 147.6
[M+Na-2H]- 228.93828 144.2
[M]+ 207.96306 150.4
[M]- 207.96416 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe