CID 63086372

6-bromo-4-chloro-2-(difluoromethyl)quinazoline

Structural Information

Molecular Formula
C9H4BrClF2N2
SMILES
C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)F)Cl
InChI
InChI=1S/C9H4BrClF2N2/c10-4-1-2-6-5(3-4)7(11)15-9(14-6)8(12)13/h1-3,8H
InChIKey
JMECDSMTTDAVQG-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2-(difluoromethyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.92145 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.92873 147.9
[M+Na]+ 314.91067 163.1
[M-H]- 290.91417 150.5
[M+NH4]+ 309.95527 167.0
[M+K]+ 330.88461 149.4
[M+H-H2O]+ 274.91871 146.3
[M+HCOO]- 336.91965 160.1
[M+CH3COO]- 350.93530 162.1
[M+Na-2H]- 312.89612 155.5
[M]+ 291.92090 166.7
[M]- 291.92200 166.7
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

No patent data available for this compound.