CID 167715123

2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)COC
InChI
InChI=1S/C14H20BClO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3
InChIKey
JYCJZAXNCFFCSD-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12670 157.6
[M+Na]+ 305.10864 168.2
[M-H]- 281.11214 166.4
[M+NH4]+ 300.15324 178.4
[M+K]+ 321.08258 166.9
[M+H-H2O]+ 265.11668 154.1
[M+HCOO]- 327.11762 173.9
[M+CH3COO]- 341.13327 198.9
[M+Na-2H]- 303.09409 162.4
[M]+ 282.11887 164.8
[M]- 282.11997 164.8
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

No patent data available for this compound.