CID 145866934

7-bromo-2,4-dichloro-6,8-difluoroquinazoline

Structural Information

Molecular Formula
C8HBrCl2F2N2
SMILES
C1=C2C(=C(C(=C1F)Br)F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8HBrCl2F2N2/c9-4-3(12)1-2-6(5(4)13)14-8(11)15-7(2)10/h1H
InChIKey
CTSSGNZHMGDRTP-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloro-6,8-difluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

311.86682 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87410 146.1
[M+Na]+ 334.85604 164.0
[M-H]- 310.85954 148.7
[M+NH4]+ 329.90064 165.4
[M+K]+ 350.82998 149.2
[M+H-H2O]+ 294.86408 145.3
[M+HCOO]- 356.86502 154.6
[M+CH3COO]- 370.88067 160.8
[M+Na-2H]- 332.84149 153.4
[M]+ 311.86627 166.5
[M]- 311.86737 166.5
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