CID 146049928

2413875-53-1

Structural Information

Molecular Formula
C6H8ClF3O3S
SMILES
COC1(CC(C1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H8ClF3O3S/c1-13-5(6(8,9)10)2-4(3-5)14(7,11)12/h4H,2-3H2,1H3
InChIKey
DVGVXVZBNIMMGF-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98347 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99075 152.9
[M+Na]+ 274.97269 155.7
[M+NH4]+ 270.01729 155.4
[M+K]+ 290.94663 151.0
[M-H]- 250.97619 145.1
[M+Na-2H]- 272.95814 153.0
[M]+ 251.98292 150.5
[M]- 251.98402 150.5
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.