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

6
Patents

257.9729 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.980176 143.4
[M+Na]+ 280.962118 153.1
[M-H]- 256.965624 143.8
[M+NH4]+ 276.006723 161.6
[M+K]+ 296.936058 148.5
[M+H-H2O]+ 240.970160 136.7
[M+HCOO]- 302.971101 152.2
[M+CH3COO]- 316.986751 187.4
[M+Na-2H]- 278.947566 147.4
[M]+ 257.97235142 143.5
[M]- 257.97344858 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