CID 42597043

2,5,6-trichloro-1-cyclopentyl-1h-benzimidazole

Structural Information

Molecular Formula
C12H11Cl3N2
SMILES
C1CCC(C1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl
InChI
InChI=1S/C12H11Cl3N2/c13-8-5-10-11(6-9(8)14)17(12(15)16-10)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
RZXQKMYCEYIFLL-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.99878 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00606 164.9
[M+Na]+ 310.98800 176.9
[M-H]- 286.99150 168.2
[M+NH4]+ 306.03260 183.9
[M+K]+ 326.96194 169.7
[M+H-H2O]+ 270.99604 157.8
[M+HCOO]- 332.99698 171.3
[M+CH3COO]- 347.01263 176.3
[M+Na-2H]- 308.97345 164.2
[M]+ 287.99823 167.4
[M]- 287.99933 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.