CID 4289243

4-tert-butyl-6-chloropyrimidine

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CC(C)(C)C1=CC(=NC=N1)Cl
InChI
InChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3
InChIKey
ILJAKOSYYVOLQH-UHFFFAOYSA-N
Compound name
4-tert-butyl-6-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

170.06108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 134.4
[M+Na]+ 193.05030 144.5
[M-H]- 169.05380 135.6
[M+NH4]+ 188.09490 153.6
[M+K]+ 209.02424 141.2
[M+H-H2O]+ 153.05834 128.5
[M+HCOO]- 215.05928 150.4
[M+CH3COO]- 229.07493 178.4
[M+Na-2H]- 191.03575 142.7
[M]+ 170.06053 136.6
[M]- 170.06163 136.6
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