CID 59439

2-tert-butyl-4,5,6-trichlorobenzimidazole

Structural Information

Molecular Formula
C11H11Cl3N2
SMILES
CC(C)(C)C1=NC2=C(C(=C(C=C2N1)Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl3N2/c1-11(2,3)10-15-6-4-5(12)7(13)8(14)9(6)16-10/h4H,1-3H3,(H,15,16)
InChIKey
NVTLRLSWZNYVJC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,5,6-trichloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00606 159.4
[M+Na]+ 298.98800 172.6
[M-H]- 274.99150 159.2
[M+NH4]+ 294.03260 177.3
[M+K]+ 314.96194 165.0
[M+H-H2O]+ 258.99604 154.4
[M+HCOO]- 320.99698 163.9
[M+CH3COO]- 335.01263 195.2
[M+Na-2H]- 296.97345 162.5
[M]+ 275.99823 163.5
[M]- 275.99933 163.5
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.