CID 487034

2,2,2-trifluoro-n-[3-(4-fluorophenyl)sulfonyl-2-thienyl]acetamide

Structural Information

Molecular Formula
C12H7F4NO3S2
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C12H7F4NO3S2/c13-7-1-3-8(4-2-7)22(19,20)9-5-6-21-10(9)17-11(18)12(14,15)16/h1-6H,(H,17,18)
InChIKey
RPUZBTPTPAXTJP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[3-(4-fluorophenyl)sulfonylthiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.98035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.98763 170.3
[M+Na]+ 375.96957 179.7
[M-H]- 351.97307 172.1
[M+NH4]+ 371.01417 185.2
[M+K]+ 391.94351 173.8
[M+H-H2O]+ 335.97761 161.0
[M+HCOO]- 397.97855 179.3
[M+CH3COO]- 411.99420 206.1
[M+Na-2H]- 373.95502 170.6
[M]+ 352.97980 168.9
[M]- 352.98090 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.