CID 22240146

627525-83-1

Structural Information

Molecular Formula
C12H15BClFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C12H15BClFO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,1-4H3
InChIKey
XJZYKURDYQAGGN-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

256.08377 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09105 148.2
[M+Na]+ 279.07299 159.8
[M-H]- 255.07649 156.0
[M+NH4]+ 274.11759 170.1
[M+K]+ 295.04693 157.9
[M+H-H2O]+ 239.08103 144.1
[M+HCOO]- 301.08197 163.9
[M+CH3COO]- 315.09762 193.5
[M+Na-2H]- 277.05844 153.3
[M]+ 256.08322 152.1
[M]- 256.08432 152.1
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