CID 154577608

1887769-25-6

Structural Information

Molecular Formula
C16H22BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(C)C(=O)OC)F
InChI
InChI=1S/C16H22BFO4/c1-10(14(19)20-6)11-7-8-12(13(18)9-11)17-21-15(2,3)16(4,5)22-17/h7-10H,1-6H3
InChIKey
DRRNFQARWWENER-UHFFFAOYSA-N
Compound name
methyl 2-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16680 165.1
[M+Na]+ 331.14874 173.9
[M-H]- 307.15224 172.6
[M+NH4]+ 326.19334 183.8
[M+K]+ 347.12268 174.7
[M+H-H2O]+ 291.15678 160.2
[M+HCOO]- 353.15772 182.7
[M+CH3COO]- 367.17337 206.4
[M+Na-2H]- 329.13419 166.8
[M]+ 308.15897 169.5
[M]- 308.16007 169.5
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

No patent data available for this compound.