CID 57343270

1001671-72-2

Structural Information

Molecular Formula
C9H6BF3NO2
SMILES
[B-](CN1C(=O)C2=CC=CC=C2C1=O)(F)(F)F
InChI
InChI=1S/C9H6BF3NO2/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16/h1-4H,5H2/q-1
InChIKey
SQKXUSVATGLZBK-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05165 140.5
[M+Na]+ 251.03359 151.0
[M-H]- 227.03709 138.8
[M+NH4]+ 246.07819 159.8
[M+K]+ 267.00753 147.3
[M+H-H2O]+ 211.04163 134.9
[M+HCOO]- 273.04257 158.1
[M+CH3COO]- 287.05822 185.4
[M+Na-2H]- 249.01904 144.4
[M]+ 228.04382 135.5
[M]- 228.04492 135.5
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.