CID 2360837

293753-05-6

Structural Information

Molecular Formula
C13H9F6NO3S2
SMILES
C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C13H9F6NO3S2/c14-12(15,16)11(21,13(17,18)19)8-3-5-9(6-4-8)20-25(22,23)10-2-1-7-24-10/h1-7,20-21H
InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N
Compound name
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

9
Patents

404.9928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.00008 179.5
[M+Na]+ 427.98202 187.5
[M-H]- 403.98552 176.9
[M+NH4]+ 423.02662 191.1
[M+K]+ 443.95596 181.2
[M+H-H2O]+ 387.99006 168.9
[M+HCOO]- 449.99100 182.7
[M+CH3COO]- 464.00665 212.0
[M+Na-2H]- 425.96747 182.4
[M]+ 404.99225 173.8
[M]- 404.99335 173.8
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