CID 123864870

1801166-63-1

Structural Information

Molecular Formula
C14H20BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)OC)C
InChI
InChI=1S/C14H20BClO3/c1-9-7-10(8-11(16)12(9)17-6)15-18-13(2,3)14(4,5)19-15/h7-8H,1-6H3
InChIKey
DUDVRFXJSYNZMR-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.11942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12670 156.1
[M+Na]+ 305.10864 167.7
[M-H]- 281.11214 165.4
[M+NH4]+ 300.15324 177.3
[M+K]+ 321.08258 166.4
[M+H-H2O]+ 265.11668 153.0
[M+HCOO]- 327.11762 172.5
[M+CH3COO]- 341.13327 200.1
[M+Na-2H]- 303.09409 160.5
[M]+ 282.11887 163.8
[M]- 282.11997 163.8
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

patents stripe