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]+ 196.08769 137.2
[M+Na]+ 218.06963 143.0
[M-H]- 194.07313 135.3
[M+NH4]+ 213.11423 151.4
[M+K]+ 234.04357 145.2
[M+H-H2O]+ 178.07767 128.6
[M+HCOO]- 240.07861 153.2
[M+CH3COO]- 254.09426 182.4
[M+Na-2H]- 216.05508 140.9
[M]+ 195.07986 140.2
[M]- 195.08096 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.