CID 58452623

2-[4-(difluoromethyl)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H19BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)F)OC
InChI
InChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(12(16)17)11(8-9)18-5/h6-8,12H,1-5H3
InChIKey
RWYXWGXJOVLSEM-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethyl)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

284.13953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.146806 157.5
[M+Na]+ 307.128748 167.3
[M-H]- 283.132254 163.8
[M+NH4]+ 302.173353 177.2
[M+K]+ 323.102688 167.5
[M+H-H2O]+ 267.136790 151.7
[M+HCOO]- 329.137731 175.3
[M+CH3COO]- 343.153381 201.5
[M+Na-2H]- 305.114196 160.5
[M]+ 284.13898142 160.0
[M]- 284.14007858 160.0
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