CID 86636902

5-(trifluoromethyl)thiophene-2-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

249.91368 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92096 141.6
[M+Na]+ 272.90290 153.3
[M-H]- 248.90640 142.5
[M+NH4]+ 267.94750 162.2
[M+K]+ 288.87684 148.1
[M+H-H2O]+ 232.91094 135.9
[M+HCOO]- 294.91188 147.4
[M+CH3COO]- 308.92753 183.7
[M+Na-2H]- 270.88835 142.8
[M]+ 249.91313 143.0
[M]- 249.91423 143.0
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

patents stripe