CID 146049928

2418643-65-7

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 137.1
[M+Na]+ 274.97269 145.1
[M-H]- 250.97619 137.2
[M+NH4]+ 270.01729 150.9
[M+K]+ 290.94663 144.9
[M+H-H2O]+ 234.98073 127.2
[M+HCOO]- 296.98167 144.5
[M+CH3COO]- 310.99732 189.3
[M+Na-2H]- 272.95814 141.4
[M]+ 251.98292 146.7
[M]- 251.98402 146.7
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.