CID 392836

Nsc693814

Structural Information

Molecular Formula
C13H10F3NO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C13H10F3NO3S2/c1-8-2-4-9(5-3-8)22(19,20)10-6-7-21-11(10)17-12(18)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKey
HPIQVYVAEILVHL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[3-(4-methylphenyl)sulfonylthiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.00543 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01271 172.8
[M+Na]+ 371.99465 181.8
[M-H]- 347.99815 175.8
[M+NH4]+ 367.03925 188.0
[M+K]+ 387.96859 176.0
[M+H-H2O]+ 332.00269 164.3
[M+HCOO]- 394.00363 182.5
[M+CH3COO]- 408.01928 206.3
[M+Na-2H]- 369.98010 173.1
[M]+ 349.00488 172.8
[M]- 349.00598 172.8
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

No patent data available for this compound.