CID 132342021

4,4,4-trifluoro-3-phenylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClF3O2S
SMILES
C1=CC=C(C=C1)C(CCS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H10ClF3O2S/c11-17(15,16)7-6-9(10(12,13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
ZGCXUGAQGUMMLQ-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-phenylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01148 152.7
[M+Na]+ 308.99342 161.5
[M-H]- 284.99692 152.7
[M+NH4]+ 304.03802 169.7
[M+K]+ 324.96736 156.4
[M+H-H2O]+ 269.00146 145.5
[M+HCOO]- 331.00240 160.8
[M+CH3COO]- 345.01805 193.4
[M+Na-2H]- 306.97887 155.6
[M]+ 286.00365 153.5
[M]- 286.00475 153.5
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

No patent data available for this compound.