CID 164891551

2-(5-fluoro-2-methoxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2OC)C)F
InChI
InChI=1S/C14H20BFO3/c1-9-7-10(16)8-11(12(9)17-6)15-18-13(2,3)14(4,5)19-15/h7-8H,1-6H3
InChIKey
NPULVJJEFAHTMX-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methoxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.14896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15624 152.4
[M+Na]+ 289.13818 163.4
[M-H]- 265.14168 160.5
[M+NH4]+ 284.18278 173.4
[M+K]+ 305.11212 163.6
[M+H-H2O]+ 249.14622 147.8
[M+HCOO]- 311.14716 172.3
[M+CH3COO]- 325.16281 199.1
[M+Na-2H]- 287.12363 156.8
[M]+ 266.14841 157.1
[M]- 266.14951 157.1
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

No patent data available for this compound.