CID 66293873

5-bromo-2-(butan-2-yl)-4-chloropyrimidine

Structural Information

Molecular Formula
C8H10BrClN2
SMILES
CCC(C)C1=NC=C(C(=N1)Cl)Br
InChI
InChI=1S/C8H10BrClN2/c1-3-5(2)8-11-4-6(9)7(10)12-8/h4-5H,3H2,1-2H3
InChIKey
PSIAZRNNZHABSQ-UHFFFAOYSA-N
Compound name
5-bromo-2-butan-2-yl-4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.97159 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97887 140.0
[M+Na]+ 270.96081 153.6
[M-H]- 246.96431 144.1
[M+NH4]+ 266.00541 159.9
[M+K]+ 286.93475 141.2
[M+H-H2O]+ 230.96885 140.1
[M+HCOO]- 292.96979 154.7
[M+CH3COO]- 306.98544 190.6
[M+Na-2H]- 268.94626 147.3
[M]+ 247.97104 161.1
[M]- 247.97214 161.1
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.