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 147.7
[M+Na]+ 259.09618 155.2
[M-H]- 235.09968 144.6
[M+NH4]+ 254.14078 165.6
[M+K]+ 275.07012 154.0
[M+H-H2O]+ 219.10422 142.4
[M+HCOO]- 281.10516 162.7
[M+CH3COO]- 295.12081 185.9
[M+Na-2H]- 257.08163 149.9
[M]+ 236.10641 142.2
[M]- 236.10751 142.2
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.