CID 165942936

Potassium trifluoro(5-oxopyrrolidin-3-yl)boranuide

Structural Information

Molecular Formula
C4H6BF3NO
SMILES
[B-](C1CC(=O)NC1)(F)(F)F
InChI
InChI=1S/C4H6BF3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)/q-1
InChIKey
PMTJHEMHZPJBMM-UHFFFAOYSA-N
Compound name
trifluoro-(5-oxopyrrolidin-3-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05673 123.8
[M+Na]+ 175.03867 131.6
[M-H]- 151.04217 119.1
[M+NH4]+ 170.08327 144.0
[M+K]+ 191.01261 129.6
[M+H-H2O]+ 135.04671 118.8
[M+HCOO]- 197.04765 139.8
[M+CH3COO]- 211.06330 167.2
[M+Na-2H]- 173.02412 127.1
[M]+ 152.04890 113.2
[M]- 152.05000 113.2
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.