CID 56239

1h-benzimidazole, 5-chloro-2-(4-methoxyphenyl)-, hemihydrate

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2O/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKey
BISYAEJRHCEWHE-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-methoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063276 155.1
[M+Na]+ 281.045218 167.2
[M-H]- 257.048724 159.6
[M+NH4]+ 276.089823 172.6
[M+K]+ 297.019158 160.2
[M+H-H2O]+ 241.053260 147.4
[M+HCOO]- 303.054201 172.8
[M+CH3COO]- 317.069851 168.0
[M+Na-2H]- 279.030666 161.2
[M]+ 258.05545142 159.0
[M]- 258.05654858 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