CID 198631

5-benzimidazolesulfonamide, 2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H6F3N3O2S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)NC(=N2)C(F)(F)F
InChI
InChI=1S/C8H6F3N3O2S/c9-8(10,11)7-13-5-2-1-4(17(12,15)16)3-6(5)14-7/h1-3H,(H,13,14)(H2,12,15,16)
InChIKey
GUCMWUGQNHQWCK-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.01328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02056 150.1
[M+Na]+ 288.00250 162.4
[M-H]- 264.00600 147.8
[M+NH4]+ 283.04710 166.6
[M+K]+ 303.97644 157.0
[M+H-H2O]+ 248.01054 142.2
[M+HCOO]- 310.01148 162.7
[M+CH3COO]- 324.02713 189.5
[M+Na-2H]- 285.98795 155.2
[M]+ 265.01273 148.3
[M]- 265.01383 148.3
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

patents stripe