CID 75360944

2246867-37-6

Structural Information

Molecular Formula
C14H20BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)COC)F
InChI
InChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-17-5)12(16)8-11/h6-8H,9H2,1-5H3
InChIKey
JSAOBIMNOCMEFL-UHFFFAOYSA-N
Compound name
2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.14896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15624 153.8
[M+Na]+ 289.13818 163.9
[M-H]- 265.14168 161.5
[M+NH4]+ 284.18278 174.5
[M+K]+ 305.11212 164.0
[M+H-H2O]+ 249.14622 148.8
[M+HCOO]- 311.14716 173.7
[M+CH3COO]- 325.16281 197.8
[M+Na-2H]- 287.12363 158.7
[M]+ 266.14841 158.1
[M]- 266.14951 158.1
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