CID 129319373

1416722-82-1

Structural Information

Molecular Formula
C13H18BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC)Cl
InChI
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-7-6-9(16-5)8-11(10)15/h6-8H,1-5H3
InChIKey
ZCWOKWCBYZCXPV-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11104 153.5
[M+Na]+ 291.09298 167.5
[M+NH4]+ 286.13758 165.0
[M+K]+ 307.06692 159.7
[M-H]- 267.09648 159.6
[M+Na-2H]- 289.07843 162.0
[M]+ 268.10321 158.1
[M]- 268.10431 158.1
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