CID 71311061

1050440-92-0

Structural Information

Molecular Formula
C13H14BF3NO2
SMILES
[B-](C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C13H14BF3NO2/c1-13(2,3)20-12(19)18-7-6-9-8-10(14(15,16)17)4-5-11(9)18/h4-8H,1-3H3/q-1
InChIKey
VKTXOBNNAAEKQW-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11424 161.3
[M+Na]+ 307.09618 169.5
[M+NH4]+ 302.14078 165.4
[M+K]+ 323.07012 167.9
[M-H]- 283.09968 156.3
[M+Na-2H]- 305.08163 163.2
[M]+ 284.10641 160.5
[M]- 284.10751 160.5
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.