CID 71306521

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

Structural Information

Molecular Formula
C14H12BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C14H12BF3NO/c16-15(17,18)13-8-6-12(7-9-13)14(20)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)/q-1
InChIKey
CXNMHBAOCUZCTF-UHFFFAOYSA-N
Compound name
[4-(benzylcarbamoyl)phenyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10368 154.5
[M+Na]+ 301.08562 160.8
[M-H]- 277.08912 155.3
[M+NH4]+ 296.13022 169.1
[M+K]+ 317.05956 156.0
[M+H-H2O]+ 261.09366 146.8
[M+HCOO]- 323.09460 173.6
[M+CH3COO]- 337.11025 197.3
[M+Na-2H]- 299.07107 158.7
[M]+ 278.09585 147.2
[M]- 278.09695 147.2
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.