CID 131409488

5-(trifluoromethyl)furan-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H2ClF3O3S
SMILES
C1=C(OC(=C1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3O3S/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H
InChIKey
HETUNOAMOBFSBG-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)furan-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.93652 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.94380 136.1
[M+Na]+ 256.92574 148.1
[M-H]- 232.92924 137.9
[M+NH4]+ 251.97034 156.1
[M+K]+ 272.89968 145.6
[M+H-H2O]+ 216.93378 130.7
[M+HCOO]- 278.93472 147.0
[M+CH3COO]- 292.95037 180.9
[M+Na-2H]- 254.91119 140.8
[M]+ 233.93597 138.6
[M]- 233.93707 138.6
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.