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

11
Patents

228.04437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.051646 140.5
[M+Na]+ 251.033588 151.0
[M-H]- 227.037094 138.8
[M+NH4]+ 246.078193 159.8
[M+K]+ 267.007528 147.3
[M+H-H2O]+ 211.041630 134.9
[M+HCOO]- 273.042571 158.1
[M+CH3COO]- 287.058221 185.4
[M+Na-2H]- 249.019036 144.4
[M]+ 228.04382142 135.5
[M]- 228.04491858 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

patents stripe