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-methoxy-3-pyridinyl]-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]+ 227.053536 136.3
[M+Na]+ 249.035478 146.0
[M-H]- 225.038984 131.0
[M+NH4]+ 244.080083 152.7
[M+K]+ 265.009418 143.4
[M+H-H2O]+ 209.043520 128.5
[M+HCOO]- 271.044461 151.7
[M+CH3COO]- 285.060111 187.0
[M+Na-2H]- 247.020926 139.6
[M]+ 226.04571142 128.9
[M]- 226.04680858 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.