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

literature stripe

Patent stripe

patents stripe