CID 57655406

1029439-83-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

256.10825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.115526 147.8
[M+Na]+ 279.097468 159.3
[M-H]- 255.100974 153.5
[M+NH4]+ 274.142073 168.4
[M+K]+ 295.071408 158.5
[M+H-H2O]+ 239.105510 142.8
[M+HCOO]- 301.106451 165.8
[M+CH3COO]- 315.122101 193.4
[M+Na-2H]- 277.082916 152.1
[M]+ 256.10770142 148.9
[M]- 256.10879858 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

patents stripe