CID 142574317

2311855-36-2

Structural Information

Molecular Formula
C14H17BF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2OC)C(F)(F)F)F
InChI
InChI=1S/C14H17BF4O3/c1-12(2)13(3,4)22-15(21-12)9-7-10(16)8(14(17,18)19)6-11(9)20-5/h6-7H,1-5H3
InChIKey
RQXZUFZXHOQCCL-UHFFFAOYSA-N
Compound name
2-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

320.1207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12798 161.9
[M+Na]+ 343.10992 173.5
[M-H]- 319.11342 166.2
[M+NH4]+ 338.15452 180.6
[M+K]+ 359.08386 173.0
[M+H-H2O]+ 303.11796 155.2
[M+HCOO]- 365.11890 177.0
[M+CH3COO]- 379.13455 207.2
[M+Na-2H]- 341.09537 165.6
[M]+ 320.12015 162.5
[M]- 320.12125 162.5
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

patents stripe