CID 16226703

868237-98-3

Structural Information

Molecular Formula
C16H14Cl2N2
SMILES
CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2/c1-11(17)16-19-14-9-13(18)7-8-15(14)20(16)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey
RJRLNLPIQPZAFG-UHFFFAOYSA-N
Compound name
1-benzyl-5-chloro-2-(1-chloroethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0534 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06068 167.0
[M+Na]+ 327.04262 185.1
[M+NH4]+ 322.08722 176.9
[M+K]+ 343.01656 176.5
[M-H]- 303.04612 171.6
[M+Na-2H]- 325.02807 176.5
[M]+ 304.05285 171.8
[M]- 304.05395 171.8
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.