CID 9947631

368890-20-4

Structural Information

Molecular Formula
C15H12ClF2N3O2S
SMILES
COC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)Cl
InChI
InChI=1S/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)
InChIKey
SEHIARBDRGKABK-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-methoxypyridin-2-yl)methylsulfanyl]-6-(difluoromethoxy)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

371.03067 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03795 177.2
[M+Na]+ 394.01989 190.3
[M+NH4]+ 389.06449 183.2
[M+K]+ 409.99383 183.2
[M-H]- 370.02339 176.7
[M+Na-2H]- 392.00534 182.4
[M]+ 371.03012 179.5
[M]- 371.03122 179.5
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

patents stripe