CID 74789456

1352733-99-3

Structural Information

Molecular Formula
C13H18BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)CO
InChI
InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7,16H,8H2,1-4H3
InChIKey
YSRGQIKTOVYLDF-UHFFFAOYSA-N
Compound name
[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

252.1333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14058 150.3
[M+Na]+ 275.12252 160.4
[M-H]- 251.12602 156.8
[M+NH4]+ 270.16712 170.9
[M+K]+ 291.09646 159.9
[M+H-H2O]+ 235.13056 145.7
[M+HCOO]- 297.13150 169.1
[M+CH3COO]- 311.14715 192.4
[M+Na-2H]- 273.10797 155.2
[M]+ 252.13275 152.5
[M]- 252.13385 152.5
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