CID 71310899

Potassium (6-bromopyridin-3-yl)trifluoroborate

Structural Information

Molecular Formula
C5H3BBrF3N
SMILES
[B-](C1=CN=C(C=C1)Br)(F)(F)F
InChI
InChI=1S/C5H3BBrF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H/q-1
InChIKey
USMNBWMFCLPVNK-UHFFFAOYSA-N
Compound name
(6-bromopyridin-3-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.9494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95668 134.8
[M+Na]+ 246.93862 147.7
[M-H]- 222.94212 135.1
[M+NH4]+ 241.98322 155.1
[M+K]+ 262.91256 136.6
[M+H-H2O]+ 206.94666 135.2
[M+HCOO]- 268.94760 151.7
[M+CH3COO]- 282.96325 181.9
[M+Na-2H]- 244.92407 142.7
[M]+ 223.94885 147.4
[M]- 223.94995 147.4
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.