CID 534172

Dtxsid50336503

Structural Information

Molecular Formula
C7H4F6N2O4S2
SMILES
C1=CC=NC(=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H4F6N2O4S2/c8-6(9,10)20(16,17)15(5-3-1-2-4-14-5)21(18,19)7(11,12)13/h1-4H
InChIKey
DXLQEJHUQKKSRB-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-pyridin-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

660
Patents

357.95166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.95894 163.7
[M+Na]+ 380.94088 172.4
[M-H]- 356.94438 159.4
[M+NH4]+ 375.98548 175.0
[M+K]+ 396.91482 168.3
[M+H-H2O]+ 340.94892 152.1
[M+HCOO]- 402.94986 167.3
[M+CH3COO]- 416.96551 206.3
[M+Na-2H]- 378.92633 168.9
[M]+ 357.95111 159.7
[M]- 357.95221 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.