CID 57655377

1029439-85-7

Structural Information

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

67
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

literature stripe

Patent stripe

patents stripe