CID 493255

312275-13-1

Structural Information

Molecular Formula
C15H13ClN2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3Cl
InChI
InChI=1S/C15H13ClN2S/c1-10-6-7-13-14(8-10)18-15(17-13)19-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKey
YOLFMMYVRKEHJW-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0488 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05608 162.1
[M+Na]+ 311.03802 174.6
[M-H]- 287.04152 166.9
[M+NH4]+ 306.08262 179.6
[M+K]+ 327.01196 166.4
[M+H-H2O]+ 271.04606 155.4
[M+HCOO]- 333.04700 174.6
[M+CH3COO]- 347.06265 174.5
[M+Na-2H]- 309.02347 164.8
[M]+ 288.04825 167.5
[M]- 288.04935 167.5
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.