CID 79076021

1289215-25-3

Structural Information

Molecular Formula
C7H8BrClN2O
SMILES
CC(C)OC1=NC(=NC=C1Br)Cl
InChI
InChI=1S/C7H8BrClN2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKey
DVALKSPCJMFPRM-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-propan-2-yloxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.95085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95813 137.9
[M+Na]+ 272.94007 151.8
[M-H]- 248.94357 142.1
[M+NH4]+ 267.98467 157.7
[M+K]+ 288.91401 140.1
[M+H-H2O]+ 232.94811 138.0
[M+HCOO]- 294.94905 153.1
[M+CH3COO]- 308.96470 189.7
[M+Na-2H]- 270.92552 145.7
[M]+ 249.95030 160.0
[M]- 249.95140 160.0
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.