CID 155858645

En300-27707691

Structural Information

Molecular Formula
C7H6BF5NO
SMILES
[B-](C1=CC(=C(N=C1)OC)C(F)F)(F)(F)F
InChI
InChI=1S/C7H6BF5NO/c1-15-7-5(6(9)10)2-4(3-14-7)8(11,12)13/h2-3,6H,1H3/q-1
InChIKey
CKTYVVXCDBYQGN-UHFFFAOYSA-N
Compound name
[5-(difluoromethyl)-6-methoxypyridin-3-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05354 150.5
[M+Na]+ 249.03548 157.0
[M+NH4]+ 244.08008 153.3
[M+K]+ 265.00942 153.8
[M-H]- 225.03898 144.2
[M+Na-2H]- 247.02093 151.9
[M]+ 226.04571 149.0
[M]- 226.04681 149.0
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.