CID 694650

295361-62-5

Structural Information

Molecular Formula
C14H11FN2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKey
OMXRCMRPDVPIDR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

258.06268 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06996 152.8
[M+Na]+ 281.05190 164.5
[M-H]- 257.05540 156.3
[M+NH4]+ 276.09650 170.3
[M+K]+ 297.02584 157.4
[M+H-H2O]+ 241.05994 144.8
[M+HCOO]- 303.06088 169.5
[M+CH3COO]- 317.07653 165.3
[M+Na-2H]- 279.03735 156.9
[M]+ 258.06213 154.6
[M]- 258.06323 154.6
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.