CID 75480361

2,2,2-trifluoro-1-phenylethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClF3O2S
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKey
LXRRNCPWUOABIA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-phenylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.9729 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98018 143.4
[M+Na]+ 280.96212 153.1
[M-H]- 256.96562 143.8
[M+NH4]+ 276.00672 161.6
[M+K]+ 296.93606 148.5
[M+H-H2O]+ 240.97016 136.7
[M+HCOO]- 302.97110 152.2
[M+CH3COO]- 316.98675 187.4
[M+Na-2H]- 278.94757 147.4
[M]+ 257.97235 143.5
[M]- 257.97345 143.5
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