CID 534172

145100-50-1

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

651
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

literature stripe

Patent stripe

patents stripe