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

16442
Patents

356.95642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.96370 163.8
[M+Na]+ 379.94564 172.0
[M-H]- 355.94914 160.5
[M+NH4]+ 374.99024 176.3
[M+K]+ 395.91958 168.0
[M+H-H2O]+ 339.95368 152.5
[M+HCOO]- 401.95462 168.3
[M+CH3COO]- 415.97027 206.7
[M+Na-2H]- 377.93109 168.4
[M]+ 356.95587 159.7
[M]- 356.95697 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.