CID 130512680

2-(trifluoromethyl)oxane-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClF3O3S
SMILES
C1COC(CC1S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H8ClF3O3S/c7-14(11,12)4-1-2-13-5(3-4)6(8,9)10/h4-5H,1-3H2
InChIKey
YKICDCCDAJBAMS-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)oxane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98347 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99075 141.9
[M+Na]+ 274.97269 150.3
[M-H]- 250.97619 142.4
[M+NH4]+ 270.01729 159.1
[M+K]+ 290.94663 148.0
[M+H-H2O]+ 234.98073 135.8
[M+HCOO]- 296.98167 147.6
[M+CH3COO]- 310.99732 185.0
[M+Na-2H]- 272.95814 145.8
[M]+ 251.98292 139.9
[M]- 251.98402 139.9
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.