CID 24903688

1044771-51-8

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

18
Patents

204.02211 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.029386 139.8
[M+Na]+ 227.011328 150.9
[M-H]- 203.014834 140.5
[M+NH4]+ 222.055933 158.1
[M+K]+ 242.985268 146.2
[M+H-H2O]+ 187.019370 134.3
[M+HCOO]- 249.020311 150.5
[M+CH3COO]- 263.035961 184.3
[M+Na-2H]- 224.996776 146.4
[M]+ 204.02156142 143.0
[M]- 204.02265858 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