CID 10468614

Chembl232280

Structural Information

Molecular Formula
C14H11ClN2S
SMILES
C1=CC=C(C=C1)SCC2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2S/c15-10-6-7-12-13(8-10)17-14(16-12)9-18-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
InChIKey
SPQAQERDTGBMRA-UHFFFAOYSA-N
Compound name
6-chloro-2-(phenylsulfanylmethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.03314 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04042 157.2
[M+Na]+ 297.02236 169.4
[M-H]- 273.02586 161.8
[M+NH4]+ 292.06696 174.9
[M+K]+ 312.99630 161.4
[M+H-H2O]+ 257.03040 150.5
[M+HCOO]- 319.03134 170.1
[M+CH3COO]- 333.04699 169.7
[M+Na-2H]- 295.00781 161.2
[M]+ 274.03259 161.8
[M]- 274.03369 161.8
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

No patent data available for this compound.