CID 487033

Acetamide, 2,2,2-trifluoro-n-[3-(phenylsulfonyl)-2-thienyl]-

Structural Information

Molecular Formula
C12H8F3NO3S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C12H8F3NO3S2/c13-12(14,15)11(17)16-10-9(6-7-20-10)21(18,19)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKey
MMXHQQDHBFZPGI-UHFFFAOYSA-N
Compound name
N-[3-(benzenesulfonyl)thiophen-2-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.98978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.99706 169.0
[M+Na]+ 357.97900 177.7
[M-H]- 333.98250 171.9
[M+NH4]+ 353.02360 184.5
[M+K]+ 373.95294 172.1
[M+H-H2O]+ 317.98704 160.4
[M+HCOO]- 379.98798 179.1
[M+CH3COO]- 394.00363 202.2
[M+Na-2H]- 355.96445 170.2
[M]+ 334.98923 168.3
[M]- 334.99033 168.3
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.