CID 45588484

1162262-35-2

Structural Information

Molecular Formula
C13H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(F)F)F
InChI
InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)8-5-6-10(9(15)7-8)18-11(16)17/h5-7,11H,1-4H3
InChIKey
NYRSHQCHDLSCNW-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

288.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12175 156.2
[M+Na]+ 311.10369 166.5
[M-H]- 287.10719 161.4
[M+NH4]+ 306.14829 175.7
[M+K]+ 327.07763 166.5
[M+H-H2O]+ 271.11173 149.6
[M+HCOO]- 333.11267 173.3
[M+CH3COO]- 347.12832 201.2
[M+Na-2H]- 309.08914 159.1
[M]+ 288.11392 157.2
[M]- 288.11502 157.2
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