CID 145915556

8-bromo-4-(2,2,2-trifluoroethoxy)quinazoline

Structural Information

Molecular Formula
C10H6BrF3N2O
SMILES
C1=CC2=C(C(=C1)Br)N=CN=C2OCC(F)(F)F
InChI
InChI=1S/C10H6BrF3N2O/c11-7-3-1-2-6-8(7)15-5-16-9(6)17-4-10(12,13)14/h1-3,5H,4H2
InChIKey
NGZNPNZXMCGQDF-UHFFFAOYSA-N
Compound name
8-bromo-4-(2,2,2-trifluoroethoxy)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.96155 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.96883 158.5
[M+Na]+ 328.95077 172.0
[M-H]- 304.95427 159.7
[M+NH4]+ 323.99537 175.9
[M+K]+ 344.92471 159.9
[M+H-H2O]+ 288.95881 155.2
[M+HCOO]- 350.95975 173.2
[M+CH3COO]- 364.97540 198.7
[M+Na-2H]- 326.93622 167.2
[M]+ 305.96100 175.4
[M]- 305.96210 175.4
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.