CID 165942042

2108678-36-8

Structural Information

Molecular Formula
C7H11BF3O2
SMILES
[B-](C1(CCC1)CC(=O)OC)(F)(F)F
InChI
InChI=1S/C7H11BF3O2/c1-13-6(12)5-7(3-2-4-7)8(9,10)11/h2-5H2,1H3/q-1
InChIKey
ATRHAECJGGOIRY-UHFFFAOYSA-N
Compound name
trifluoro-[1-(2-methoxy-2-oxoethyl)cyclobutyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.087686 137.2
[M+Na]+ 218.069628 143.0
[M-H]- 194.073134 135.3
[M+NH4]+ 213.114233 151.4
[M+K]+ 234.043568 145.2
[M+H-H2O]+ 178.077670 128.6
[M+HCOO]- 240.078611 153.2
[M+CH3COO]- 254.094261 182.4
[M+Na-2H]- 216.055076 140.9
[M]+ 195.07986142 140.2
[M]- 195.08095858 140.2
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.