CID 493256

342383-63-5

Structural Information

Molecular Formula
C15H13FN2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN2S/c1-10-2-7-13-14(8-10)18-15(17-13)19-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
InChIKey
HJDOWNODDJGPDO-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

272.07834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08562 157.8
[M+Na]+ 295.06756 169.8
[M-H]- 271.07106 161.4
[M+NH4]+ 290.11216 175.0
[M+K]+ 311.04150 162.4
[M+H-H2O]+ 255.07560 149.7
[M+HCOO]- 317.07654 174.0
[M+CH3COO]- 331.09219 170.1
[M+Na-2H]- 293.05301 160.5
[M]+ 272.07779 160.3
[M]- 272.07889 160.3
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.