CID 383505

157609-68-2

Structural Information

Molecular Formula
C14H7F5N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C14H7F5N2S/c15-9-6(10(16)12(18)13(19)11(9)17)5-22-14-20-7-3-1-2-4-8(7)21-14/h1-4H,5H2,(H,20,21)
InChIKey
LXTKQRJZROGECH-UHFFFAOYSA-N
Compound name
2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

330.02502 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03230 163.5
[M+Na]+ 353.01424 178.4
[M-H]- 329.01774 162.7
[M+NH4]+ 348.05884 178.7
[M+K]+ 368.98818 169.3
[M+H-H2O]+ 313.02228 152.2
[M+HCOO]- 375.02322 175.5
[M+CH3COO]- 389.03887 174.7
[M+Na-2H]- 350.99969 162.3
[M]+ 330.02447 162.6
[M]- 330.02557 162.6
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