CID 155970411

6-(difluoromethoxy)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C13H18BF2NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)OC(F)F)C
InChI
InChI=1S/C13H18BF2NO3/c1-8-9(6-7-10(17-8)18-11(15)16)14-19-12(2,3)13(4,5)20-14/h6-7,11H,1-5H3
InChIKey
AZUBMWMRHZDVOJ-UHFFFAOYSA-N
Compound name
6-(difluoromethoxy)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.13477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14205 157.0
[M+Na]+ 308.12399 167.1
[M-H]- 284.12749 162.0
[M+NH4]+ 303.16859 175.3
[M+K]+ 324.09793 167.5
[M+H-H2O]+ 268.13203 150.2
[M+HCOO]- 330.13297 173.8
[M+CH3COO]- 344.14862 201.1
[M+Na-2H]- 306.10944 160.2
[M]+ 285.13422 159.6
[M]- 285.13532 159.6
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