CID 16086724

912350-01-7

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 154.8
[M+Na]+ 287.06997 164.5
[M+NH4]+ 282.11457 160.2
[M+K]+ 303.04391 159.5
[M-H]- 263.07347 154.0
[M+Na-2H]- 285.05542 161.1
[M]+ 264.08020 155.4
[M]- 264.08130 155.4
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.