CID 166029001

6-bromo-4-chloro-5-fluoroquinazoline

Structural Information

Molecular Formula
C8H3BrClFN2
SMILES
C1=CC(=C(C2=C1N=CN=C2Cl)F)Br
InChI
InChI=1S/C8H3BrClFN2/c9-4-1-2-5-6(7(4)11)8(10)13-3-12-5/h1-3H
InChIKey
HMGCSYCNMIZAQG-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-5-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

259.91522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.92250 139.6
[M+Na]+ 282.90444 155.5
[M-H]- 258.90794 143.7
[M+NH4]+ 277.94904 160.1
[M+K]+ 298.87838 142.2
[M+H-H2O]+ 242.91248 139.1
[M+HCOO]- 304.91342 154.1
[M+CH3COO]- 318.92907 155.1
[M+Na-2H]- 280.88989 149.6
[M]+ 259.91467 159.7
[M]- 259.91577 159.7
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

patents stripe