CID 2783165

3,5-bis(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H5F6NO2S
SMILES
C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C8H5F6NO2S/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-3H,(H2,15,16,17)
InChIKey
UQRLSJLFAHCJBF-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

292.9945 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00178 151.2
[M+Na]+ 315.98372 161.5
[M-H]- 291.98722 147.4
[M+NH4]+ 311.02832 166.5
[M+K]+ 331.95766 157.0
[M+H-H2O]+ 275.99176 140.9
[M+HCOO]- 337.99270 160.7
[M+CH3COO]- 352.00835 197.9
[M+Na-2H]- 313.96917 153.9
[M]+ 292.99395 144.0
[M]- 292.99505 144.0
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