CID 392837

Nsc693815

Structural Information

Molecular Formula
C12H7ClF3NO3S2
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F)Cl
InChI
InChI=1S/C12H7ClF3NO3S2/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
XITSXNJXRCWMMZ-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.9508 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.95808 173.7
[M+Na]+ 391.94002 183.7
[M-H]- 367.94352 177.3
[M+NH4]+ 386.98462 189.1
[M+K]+ 407.91396 176.8
[M+H-H2O]+ 351.94806 166.4
[M+HCOO]- 413.94900 179.4
[M+CH3COO]- 427.96465 206.9
[M+Na-2H]- 389.92547 174.3
[M]+ 368.95025 175.5
[M]- 368.95135 175.5
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.