CID 24824492

603122-79-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

280.1282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13548 155.8
[M+Na]+ 303.11742 165.8
[M-H]- 279.12092 163.7
[M+NH4]+ 298.16202 175.8
[M+K]+ 319.09136 166.5
[M+H-H2O]+ 263.12546 151.1
[M+HCOO]- 325.12640 175.1
[M+CH3COO]- 339.14205 199.5
[M+Na-2H]- 301.10287 159.7
[M]+ 280.12765 160.2
[M]- 280.12875 160.2
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