CID 46738070

Potassium benzo[c][1,2,5]oxadiazole-5-trifluoroborate

Structural Information

Molecular Formula
C6H3BF3N2O
SMILES
[B-](C1=CC2=NON=C2C=C1)(F)(F)F
InChI
InChI=1S/C6H3BF3N2O/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H/q-1
InChIKey
JZMIAWLSOHEKER-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazol-5-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02905 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03633 126.1
[M+Na]+ 210.01827 137.8
[M-H]- 186.02177 124.1
[M+NH4]+ 205.06287 144.4
[M+K]+ 225.99221 135.9
[M+H-H2O]+ 170.02631 119.7
[M+HCOO]- 232.02725 144.8
[M+CH3COO]- 246.04290 176.0
[M+Na-2H]- 208.00372 135.5
[M]+ 187.02850 123.2
[M]- 187.02960 123.2
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.