CID 42600434

5,6-dichloro-1-cyclopentyl-1h-benzimidazole

Structural Information

Molecular Formula
C12H12Cl2N2
SMILES
C1CCC(C1)N2C=NC3=CC(=C(C=C32)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2/c13-9-5-11-12(6-10(9)14)16(7-15-11)8-3-1-2-4-8/h5-8H,1-4H2
InChIKey
LTZMVRWQQJBCFY-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.03775 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04503 156.7
[M+Na]+ 277.02697 168.2
[M-H]- 253.03047 161.2
[M+NH4]+ 272.07157 177.1
[M+K]+ 293.00091 161.5
[M+H-H2O]+ 237.03501 149.4
[M+HCOO]- 299.03595 168.9
[M+CH3COO]- 313.05160 169.3
[M+Na-2H]- 275.01242 158.1
[M]+ 254.03720 159.0
[M]- 254.03830 159.0
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.