CID 493268

Hms5177d11

Structural Information

Molecular Formula
C15H12ClFN2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H12ClFN2S/c1-9-5-6-13-14(7-9)19-15(18-13)20-8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKey
YVQPSAMFVQNDMF-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.03937 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04665 164.2
[M+Na]+ 329.02859 177.6
[M-H]- 305.03209 167.9
[M+NH4]+ 324.07319 181.1
[M+K]+ 345.00253 168.9
[M+H-H2O]+ 289.03663 156.7
[M+HCOO]- 351.03757 175.6
[M+CH3COO]- 365.05322 176.4
[M+Na-2H]- 327.01404 165.7
[M]+ 306.03882 169.0
[M]- 306.03992 169.0
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

No patent data available for this compound.