CID 132327728

2126178-63-8

Structural Information

Molecular Formula
C4H6ClF3O4S2
SMILES
C(CS(=O)(=O)C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C4H6ClF3O4S2/c5-14(11,12)3-1-2-13(9,10)4(6,7)8/h1-3H2
InChIKey
DBOADRZLABWQNY-UHFFFAOYSA-N
Compound name
3-(trifluoromethylsulfonyl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9348 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94208 145.0
[M+Na]+ 296.92402 154.3
[M-H]- 272.92752 142.0
[M+NH4]+ 291.96862 162.2
[M+K]+ 312.89796 149.5
[M+H-H2O]+ 256.93206 139.2
[M+HCOO]- 318.93300 148.0
[M+CH3COO]- 332.94865 186.9
[M+Na-2H]- 294.90947 148.4
[M]+ 273.93425 147.3
[M]- 273.93535 147.3
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.