CID 198157

Brn 0940318

Structural Information

Molecular Formula
C10H7Cl3F3N3O2S
SMILES
CN(C)S(=O)(=O)C1=C(C(=C(C2=C1N=C(N2)C(F)(F)F)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3F3N3O2S/c1-19(2)22(20,21)8-5(13)3(11)4(12)6-7(8)18-9(17-6)10(14,15)16/h1-2H3,(H,17,18)
InChIKey
IMNCVEVBWUFKIU-UHFFFAOYSA-N
Compound name
5,6,7-trichloro-N,N-dimethyl-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.92767 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.93495 174.6
[M+Na]+ 417.91689 183.6
[M+NH4]+ 412.96149 178.6
[M+K]+ 433.89083 179.5
[M-H]- 393.92039 169.7
[M+Na-2H]- 415.90234 176.2
[M]+ 394.92712 175.3
[M]- 394.92822 175.3
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

No patent data available for this compound.