CID 393987

2-(2-chlorophenoxymethyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1=CC=C2C(=C1)NC(=N2)COC3=CC=CC=C3Cl
InChI
InChI=1S/C14H11ClN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
InChIKey
UIPOKFUXNJLYAO-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

258.056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 154.7
[M+Na]+ 281.04522 165.8
[M-H]- 257.04872 158.7
[M+NH4]+ 276.08982 171.9
[M+K]+ 297.01916 158.8
[M+H-H2O]+ 241.05326 146.7
[M+HCOO]- 303.05420 172.4
[M+CH3COO]- 317.06985 167.3
[M+Na-2H]- 279.03067 161.5
[M]+ 258.05545 158.1
[M]- 258.05655 158.1
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.