CID 134715905

2121512-49-8

Structural Information

Molecular Formula
C14H20BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2OC)OC)Cl
InChI
InChI=1S/C14H20BClO4/c1-13(2)14(3,4)20-15(19-13)9-7-10(16)12(18-6)8-11(9)17-5/h7-8H,1-6H3
InChIKey
GTIANJKBNTZMKA-UHFFFAOYSA-N
Compound name
2-(5-chloro-2,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12160 158.9
[M+Na]+ 321.10354 170.3
[M-H]- 297.10704 168.2
[M+NH4]+ 316.14814 179.4
[M+K]+ 337.07748 169.7
[M+H-H2O]+ 281.11158 155.8
[M+HCOO]- 343.11252 175.5
[M+CH3COO]- 357.12817 202.2
[M+Na-2H]- 319.08899 163.6
[M]+ 298.11377 168.2
[M]- 298.11487 168.2
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.