CID 3008446

2,4-bis(4-bromophenoxy)-5-methyl-pyrimidine

Structural Information

Molecular Formula
C17H12Br2N2O2
SMILES
CC1=CN=C(N=C1OC2=CC=C(C=C2)Br)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C17H12Br2N2O2/c1-11-10-20-17(23-15-8-4-13(19)5-9-15)21-16(11)22-14-6-2-12(18)3-7-14/h2-10H,1H3
InChIKey
QTZOKCJFSBQOIG-UHFFFAOYSA-N
Compound name
2,4-bis(4-bromophenoxy)-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.92654 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.93382 167.7
[M+Na]+ 456.91576 178.0
[M-H]- 432.91926 177.2
[M+NH4]+ 451.96036 180.3
[M+K]+ 472.88970 163.3
[M+H-H2O]+ 416.92380 174.1
[M+HCOO]- 478.92474 182.5
[M+CH3COO]- 492.94039 180.1
[M+Na-2H]- 454.90121 174.3
[M]+ 433.92599 203.8
[M]- 433.92709 203.8
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

No patent data available for this compound.