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 136.3
[M+Na]+ 249.03548 146.0
[M-H]- 225.03898 131.0
[M+NH4]+ 244.08008 152.7
[M+K]+ 265.00942 143.4
[M+H-H2O]+ 209.04352 128.5
[M+HCOO]- 271.04446 151.7
[M+CH3COO]- 285.06011 187.0
[M+Na-2H]- 247.02093 139.6
[M]+ 226.04571 128.9
[M]- 226.04681 128.9
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.