CID 53398549

1310384-35-0

Structural Information

Molecular Formula
C12H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)F
InChI
InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8/h6-7H,1-5H3
InChIKey
HLIWIOCMLKVEKW-UHFFFAOYSA-N
Compound name
3-fluoro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

253.12856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13584 148.9
[M+Na]+ 276.11778 159.7
[M-H]- 252.12128 155.4
[M+NH4]+ 271.16238 168.7
[M+K]+ 292.09172 160.3
[M+H-H2O]+ 236.12582 143.0
[M+HCOO]- 298.12676 168.2
[M+CH3COO]- 312.14241 194.5
[M+Na-2H]- 274.10323 154.4
[M]+ 253.12801 153.0
[M]- 253.12911 153.0
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