CID 4145399

2-(5-chloro-2-methoxyphenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
COC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H11ClN2O/c1-18-13-7-6-9(15)8-10(13)14-16-11-4-2-3-5-12(11)17-14/h2-8H,1H3,(H,16,17)
InChIKey
QDVCOIQHTAYVOM-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 155.1
[M+Na]+ 281.04522 167.2
[M-H]- 257.04872 159.6
[M+NH4]+ 276.08982 172.6
[M+K]+ 297.01916 160.2
[M+H-H2O]+ 241.05326 147.4
[M+HCOO]- 303.05420 172.8
[M+CH3COO]- 317.06985 168.0
[M+Na-2H]- 279.03067 161.2
[M]+ 258.05545 159.0
[M]- 258.05655 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

No literature data available for this compound.

Patent stripe

patents stripe