CID 66716079

2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C12H15BClFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)F
InChI
InChI=1S/C12H15BClFO3/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
CEBBVCKDURRDBD-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-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

46
Patents

272.07867 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08595 150.9
[M+Na]+ 295.06789 162.9
[M-H]- 271.07139 157.7
[M+NH4]+ 290.11249 171.7
[M+K]+ 311.04183 160.7
[M+H-H2O]+ 255.07593 147.4
[M+HCOO]- 317.07687 165.4
[M+CH3COO]- 331.09252 194.4
[M+Na-2H]- 293.05334 155.3
[M]+ 272.07812 155.0
[M]- 272.07922 155.0
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