CID 45786006

1402172-82-0

Structural Information

Molecular Formula
C17H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)13-9-10-20-15(11-13)12-5-7-14(19)8-6-12/h5-11H,1-4H3
InChIKey
WRXKRFGGYGSZLT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-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

6
Patents

299.1493 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15658 164.9
[M+Na]+ 322.13852 175.3
[M-H]- 298.14202 174.4
[M+NH4]+ 317.18312 182.4
[M+K]+ 338.11246 173.6
[M+H-H2O]+ 282.14656 156.8
[M+HCOO]- 344.14750 183.8
[M+CH3COO]- 358.16315 177.9
[M+Na-2H]- 320.12397 169.1
[M]+ 299.14875 166.7
[M]- 299.14985 166.7
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