CID 11402049

190788-60-4

Structural Information

Molecular Formula
C13H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-8-6-7-9-11(10)15-5/h6-9H,1-5H3
InChIKey
ASDFSWMHZSWXPO-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 147.0
[M+Na]+ 257.13195 156.5
[M-H]- 233.13545 155.9
[M+NH4]+ 252.17655 168.7
[M+K]+ 273.10589 157.3
[M+H-H2O]+ 217.13999 142.8
[M+HCOO]- 279.14093 168.3
[M+CH3COO]- 293.15658 191.0
[M+Na-2H]- 255.11740 153.5
[M]+ 234.14218 151.6
[M]- 234.14328 151.6
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.