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 158.5
[M+Na]+ 307.09618 168.4
[M-H]- 283.09968 157.2
[M+NH4]+ 302.14078 175.8
[M+K]+ 323.07012 165.0
[M+H-H2O]+ 267.10422 152.7
[M+HCOO]- 329.10516 174.8
[M+CH3COO]- 343.12081 195.8
[M+Na-2H]- 305.08163 162.8
[M]+ 284.10641 156.6
[M]- 284.10751 156.6
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.