CID 155820127

(6-(difluoromethyl)-5-methylpyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C7H8BF2NO2
SMILES
B(C1=CC(=C(N=C1)C(F)F)C)(O)O
InChI
InChI=1S/C7H8BF2NO2/c1-4-2-5(8(12)13)3-11-6(4)7(9)10/h2-3,7,12-13H,1H3
InChIKey
XQGJDPRZDFMFFD-UHFFFAOYSA-N
Compound name
[6-(difluoromethyl)-5-methylpyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.06161 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06889 134.1
[M+Na]+ 210.05083 142.6
[M-H]- 186.05433 131.6
[M+NH4]+ 205.09543 151.4
[M+K]+ 226.02477 140.2
[M+H-H2O]+ 170.05887 126.7
[M+HCOO]- 232.05981 151.1
[M+CH3COO]- 246.07546 178.7
[M+Na-2H]- 208.03628 137.1
[M]+ 187.06106 130.5
[M]- 187.06216 130.5
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

patents stripe