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 182.8
[M+Na]+ 445.94817 195.6
[M-H]- 421.95167 181.4
[M+NH4]+ 440.99277 195.9
[M+K]+ 461.92211 188.6
[M+H-H2O]+ 405.95621 176.2
[M+HCOO]- 467.95715 180.2
[M+CH3COO]- 481.97280 220.9
[M+Na-2H]- 443.93362 182.5
[M]+ 422.95840 188.4
[M]- 422.95950 188.4
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