CID 73995282

Potassium [4-(pyrrolidine-1-carbonyl)phenyl]trifluoroborate

Structural Information

Molecular Formula
C11H12BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)N2CCCC2)(F)(F)F
InChI
InChI=1S/C11H12BF3NO/c13-12(14,15)10-5-3-9(4-6-10)11(17)16-7-1-2-8-16/h3-6H,1-2,7-8H2/q-1
InChIKey
UPGWMNFRPNBTML-UHFFFAOYSA-N
Compound name
trifluoro-[4-(pyrrolidine-1-carbonyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10368 147.2
[M+Na]+ 265.08562 153.5
[M-H]- 241.08912 146.6
[M+NH4]+ 260.13022 164.1
[M+K]+ 281.05956 150.2
[M+H-H2O]+ 225.09366 140.0
[M+HCOO]- 287.09460 162.9
[M+CH3COO]- 301.11025 186.7
[M+Na-2H]- 263.07107 148.4
[M]+ 242.09585 137.9
[M]- 242.09695 137.9
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.