CID 167739439

En300-20786402

Structural Information

Molecular Formula
C13H17BClFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2OC)F)Cl
InChI
InChI=1S/C13H17BClFO3/c1-12(2)13(3,4)19-14(18-12)8-6-9(15)10(16)7-11(8)17-5/h6-7H,1-5H3
InChIKey
ATLNCXSFWZENCS-UHFFFAOYSA-N
Compound name
2-(5-chloro-4-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09433 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10161 154.5
[M+Na]+ 309.08355 166.5
[M-H]- 285.08705 162.5
[M+NH4]+ 304.12815 175.5
[M+K]+ 325.05749 165.0
[M+H-H2O]+ 269.09159 150.6
[M+HCOO]- 331.09253 170.2
[M+CH3COO]- 345.10818 199.8
[M+Na-2H]- 307.06900 158.8
[M]+ 286.09378 160.8
[M]- 286.09488 160.8
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.