CID 72221141

1451391-16-4

Structural Information

Molecular Formula
C12H15BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2O)F)F
InChI
InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6,16H,1-4H3
InChIKey
LXRKTJYRVGXRII-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11553 147.8
[M+Na]+ 279.09747 159.3
[M-H]- 255.10097 153.5
[M+NH4]+ 274.14207 168.4
[M+K]+ 295.07141 158.5
[M+H-H2O]+ 239.10551 142.8
[M+HCOO]- 301.10645 165.8
[M+CH3COO]- 315.12210 193.4
[M+Na-2H]- 277.08292 152.1
[M]+ 256.10770 148.9
[M]- 256.10880 148.9
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.