CID 469142

1-(4-tert-butylbenzyl)-2,5,6-trichloro-1h-benzimidazole

Structural Information

Molecular Formula
C18H17Cl3N2
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl
InChI
InChI=1S/C18H17Cl3N2/c1-18(2,3)12-6-4-11(5-7-12)10-23-16-9-14(20)13(19)8-15(16)22-17(23)21/h4-9H,10H2,1-3H3
InChIKey
SDSLCVIEYMMTNP-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-2,5,6-trichlorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.04575 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05303 186.1
[M+Na]+ 389.03497 198.9
[M-H]- 365.03847 189.8
[M+NH4]+ 384.07957 200.9
[M+K]+ 405.00891 190.3
[M+H-H2O]+ 349.04301 178.3
[M+HCOO]- 411.04395 190.9
[M+CH3COO]- 425.05960 196.4
[M+Na-2H]- 387.02042 187.2
[M]+ 366.04520 192.8
[M]- 366.04630 192.8
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.