CID 101910817

Potassium 6-bromonicotinoyltrifluoroborate

Structural Information

Molecular Formula
C6H3BBrF3NO
SMILES
[B-](C(=O)C1=CN=C(C=C1)Br)(F)(F)F
InChI
InChI=1S/C6H3BBrF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3H/q-1
InChIKey
XLMQJUKMGPXJED-UHFFFAOYSA-N
Compound name
(6-bromopyridine-3-carbonyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.94432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95160 140.9
[M+Na]+ 274.93354 153.3
[M-H]- 250.93704 141.1
[M+NH4]+ 269.97814 159.9
[M+K]+ 290.90748 142.2
[M+H-H2O]+ 234.94158 141.0
[M+HCOO]- 296.94252 156.8
[M+CH3COO]- 310.95817 186.3
[M+Na-2H]- 272.91899 147.2
[M]+ 251.94377 153.8
[M]- 251.94487 153.8
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.