CID 130531784

4-(trifluoromethyl)thiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2ClF3O2S2
SMILES
C1=C(C(=CS1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-12-1-3(4)5(7,8)9/h1-2H
InChIKey
AVYBGNWGLMTDIC-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)thiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.91368 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92096 153.5
[M+Na]+ 272.90290 160.6
[M+NH4]+ 267.94750 159.2
[M+K]+ 288.87684 154.6
[M-H]- 248.90640 149.1
[M+Na-2H]- 270.88835 154.6
[M]+ 249.91313 154.0
[M]- 249.91423 154.0
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.