CID 198156

Brn 0941927

Structural Information

Molecular Formula
C12H11Cl3F3N3O2S
SMILES
CCN(CC)S(=O)(=O)C1=C(C(=C(C2=C1N=C(N2)C(F)(F)F)Cl)Cl)Cl
InChI
InChI=1S/C12H11Cl3F3N3O2S/c1-3-21(4-2)24(22,23)10-7(15)5(13)6(14)8-9(10)20-11(19-8)12(16,17)18/h3-4H2,1-2H3,(H,19,20)
InChIKey
MSTNWDNIHYKVMD-UHFFFAOYSA-N
Compound name
5,6,7-trichloro-N,N-diethyl-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

422.95895 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.96623 182.4
[M+Na]+ 445.94817 191.0
[M+NH4]+ 440.99277 186.0
[M+K]+ 461.92211 186.5
[M-H]- 421.95167 177.4
[M+Na-2H]- 443.93362 183.5
[M]+ 422.95840 182.9
[M]- 422.95950 182.9
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