CID 49760512

755027-42-0

Structural Information

Molecular Formula
C12H17BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2C)F
InChI
InChI=1S/C12H17BFNO2/c1-8-7-15-10(14)6-9(8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
InChIKey
UAPUIZLKGCQCRM-UHFFFAOYSA-N
Compound name
2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

237.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14092 145.7
[M+Na]+ 260.12286 156.7
[M-H]- 236.12636 152.3
[M+NH4]+ 255.16746 166.2
[M+K]+ 276.09680 156.7
[M+H-H2O]+ 220.13090 140.0
[M+HCOO]- 282.13184 164.8
[M+CH3COO]- 296.14749 192.4
[M+Na-2H]- 258.10831 151.1
[M]+ 237.13309 148.3
[M]- 237.13419 148.3
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