CID 101910818

Potassium 2-chloroisonicotinoyltrifluoroborate

Structural Information

Molecular Formula
C6H3BClF3NO
SMILES
[B-](C(=O)C1=CC(=NC=C1)Cl)(F)(F)F
InChI
InChI=1S/C6H3BClF3NO/c8-5-3-4(1-2-12-5)6(13)7(9,10)11/h1-3H/q-1
InChIKey
ICAYWNJXEPDPON-UHFFFAOYSA-N
Compound name
(2-chloropyridine-4-carbonyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.99483 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.00211 130.7
[M+Na]+ 230.98405 140.6
[M-H]- 206.98755 127.7
[M+NH4]+ 226.02865 148.5
[M+K]+ 246.95799 136.8
[M+H-H2O]+ 190.99209 125.5
[M+HCOO]- 252.99303 144.2
[M+CH3COO]- 267.00868 179.9
[M+Na-2H]- 228.96950 136.0
[M]+ 207.99428 126.4
[M]- 207.99538 126.4
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.