CID 165588245

En300-28334201

Structural Information

Molecular Formula
C7H11BF3O2S
SMILES
[B-](C1(CSC1)CC(=O)OCC)(F)(F)F
InChI
InChI=1S/C7H11BF3O2S/c1-2-13-6(12)3-7(4-14-5-7)8(9,10)11/h2-5H2,1H3/q-1
InChIKey
CELPNIXOODKZOT-UHFFFAOYSA-N
Compound name
[3-(2-ethoxy-2-oxoethyl)thietan-3-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05977 141.3
[M+Na]+ 250.04171 145.8
[M-H]- 226.04521 138.8
[M+NH4]+ 245.08631 154.2
[M+K]+ 266.01565 147.3
[M+H-H2O]+ 210.04975 131.4
[M+HCOO]- 272.05069 151.7
[M+CH3COO]- 286.06634 186.1
[M+Na-2H]- 248.02716 142.0
[M]+ 227.05194 146.0
[M]- 227.05304 146.0
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.