CID 24903688

2-tert-butyl-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CC(C)(C)C1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3
InChIKey
INTDGBJUITUUCN-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.02211 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02939 139.8
[M+Na]+ 227.01133 150.9
[M-H]- 203.01483 140.5
[M+NH4]+ 222.05593 158.1
[M+K]+ 242.98527 146.2
[M+H-H2O]+ 187.01937 134.3
[M+HCOO]- 249.02031 150.5
[M+CH3COO]- 263.03596 184.3
[M+Na-2H]- 224.99678 146.4
[M]+ 204.02156 143.0
[M]- 204.02266 143.0
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

patents stripe