CID 142176

37595-74-7

Structural Information

Molecular Formula
C8H5F6NO4S2
SMILES
C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
InChIKey
DIOHEXPTUTVCNX-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

16608
Patents

356.95642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.963696 163.8
[M+Na]+ 379.945638 172.0
[M-H]- 355.949144 160.5
[M+NH4]+ 374.990243 176.3
[M+K]+ 395.919578 168.0
[M+H-H2O]+ 339.953680 152.5
[M+HCOO]- 401.954621 168.3
[M+CH3COO]- 415.970271 206.7
[M+Na-2H]- 377.931086 168.4
[M]+ 356.95587142 159.7
[M]- 356.95696858 159.7
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