CID 18070736

4-(2,2,2-trifluoroethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClF3O3S
SMILES
C1=CC(=CC=C1OCC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClF3O3S/c9-16(13,14)7-3-1-6(2-4-7)15-5-8(10,11)12/h1-4H,5H2
InChIKey
CIUDMBYRPHOVNB-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

273.96783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.97511 156.0
[M+Na]+ 296.95705 164.7
[M+NH4]+ 292.00165 161.0
[M+K]+ 312.93099 158.6
[M-H]- 272.96055 151.6
[M+Na-2H]- 294.94250 159.2
[M]+ 273.96728 156.4
[M]- 273.96838 156.4
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