CID 137942689

Potassium {1-[(tert-butoxy)carbonyl]-2,5-dihydro-1h-pyrrol-3-yl}trifluoroboranuide

Structural Information

Molecular Formula
C9H14BF3NO2
SMILES
[B-](C1=CCN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H14BF3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h4H,5-6H2,1-3H3/q-1
InChIKey
DKRXUGAFKTVWEN-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11424 153.4
[M+Na]+ 259.09618 158.8
[M+NH4]+ 254.14078 156.9
[M+K]+ 275.07012 158.5
[M-H]- 235.09968 147.1
[M+Na-2H]- 257.08163 153.4
[M]+ 236.10641 151.6
[M]- 236.10751 151.6
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.