CID 63868550

5-bromo-2-(3-chlorophenoxy)pyrimidine

Structural Information

Molecular Formula
C10H6BrClN2O
SMILES
C1=CC(=CC(=C1)Cl)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C10H6BrClN2O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H
InChIKey
VAMQVRMZSPQBNI-UHFFFAOYSA-N
Compound name
5-bromo-2-(3-chlorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

283.9352 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.94248 146.0
[M+Na]+ 306.92442 159.9
[M-H]- 282.92792 152.9
[M+NH4]+ 301.96902 164.0
[M+K]+ 322.89836 147.1
[M+H-H2O]+ 266.93246 145.1
[M+HCOO]- 328.93340 162.5
[M+CH3COO]- 342.94905 161.0
[M+Na-2H]- 304.90987 155.6
[M]+ 283.93465 167.5
[M]- 283.93575 167.5
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