CID 59256915

537031-78-0

Structural Information

Molecular Formula
C3H3F6NO4S2
SMILES
CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3H3F6NO4S2/c1-10(15(11,12)2(4,5)6)16(13,14)3(7,8)9/h1H3
InChIKey
LMLOOYLJVCUWCD-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

294.94077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.94805 145.7
[M+Na]+ 317.92999 154.2
[M-H]- 293.93349 139.6
[M+NH4]+ 312.97459 160.7
[M+K]+ 333.90393 151.8
[M+H-H2O]+ 277.93803 135.7
[M+HCOO]- 339.93897 149.9
[M+CH3COO]- 353.95462 196.7
[M+Na-2H]- 315.91544 149.7
[M]+ 294.94022 141.6
[M]- 294.94132 141.6
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