CID 16086724

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

Structural Information

Molecular Formula
C13H10BF3NO
SMILES
[B-](C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C13H10BF3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19)/q-1
InChIKey
NQXKIKRXQSKKGO-UHFFFAOYSA-N
Compound name
trifluoro-[4-(phenylcarbamoyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08803 149.7
[M+Na]+ 287.06997 156.4
[M-H]- 263.07347 150.7
[M+NH4]+ 282.11457 164.9
[M+K]+ 303.04391 151.9
[M+H-H2O]+ 247.07801 142.3
[M+HCOO]- 309.07895 169.2
[M+CH3COO]- 323.09460 194.2
[M+Na-2H]- 285.05542 154.5
[M]+ 264.08020 142.1
[M]- 264.08130 142.1
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.