CID 720852

1-phenyl-1h-benzimidazol-2-yl hydrosulfide

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S
InChI
InChI=1S/C13H10N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)
InChIKey
JKIGHOGKGARVAG-UHFFFAOYSA-N
Compound name
3-phenyl-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1093
Patents

226.05647 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.063746 146.3
[M+Na]+ 249.045688 158.7
[M-H]- 225.049194 151.4
[M+NH4]+ 244.090293 165.2
[M+K]+ 265.019628 151.7
[M+H-H2O]+ 209.053730 139.6
[M+HCOO]- 271.054671 164.5
[M+CH3COO]- 285.070321 159.8
[M+Na-2H]- 247.031136 151.3
[M]+ 226.05592142 148.0
[M]- 226.05701858 148.0
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