CID 468860

Chembl134969

Structural Information

Molecular Formula
C19H12F2N2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C4=C(C=CC=C4F)F
InChI
InChI=1S/C19H12F2N2O2S/c20-14-9-6-10-15(21)18(14)19-22-16-11-4-5-12-17(16)23(19)26(24,25)13-7-2-1-3-8-13/h1-12H
InChIKey
CMSFEPATYGMURN-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2-(2,6-difluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

370.05875 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06603 184.0
[M+Na]+ 393.04797 197.1
[M-H]- 369.05147 191.2
[M+NH4]+ 388.09257 197.1
[M+K]+ 409.02191 189.3
[M+H-H2O]+ 353.05601 173.6
[M+HCOO]- 415.05695 199.5
[M+CH3COO]- 429.07260 195.3
[M+Na-2H]- 391.03342 186.9
[M]+ 370.05820 187.1
[M]- 370.05930 187.1
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