CID 56973229

757982-31-3

Structural Information

Molecular Formula
C14H18BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)F
InChI
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16/h6-8H,1-5H3
InChIKey
RLXGRSGYCMSWRW-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

280.1282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13548 161.6
[M+Na]+ 303.11742 172.7
[M+NH4]+ 298.16202 170.7
[M+K]+ 319.09136 166.5
[M-H]- 279.12092 164.9
[M+Na-2H]- 301.10287 167.6
[M]+ 280.12765 164.3
[M]- 280.12875 164.3
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