CID 22169594

635305-45-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11104 152.9
[M+Na]+ 291.09298 163.9
[M-H]- 267.09648 161.9
[M+NH4]+ 286.13758 174.3
[M+K]+ 307.06692 162.8
[M+H-H2O]+ 251.10102 149.5
[M+HCOO]- 313.10196 169.6
[M+CH3COO]- 327.11761 195.9
[M+Na-2H]- 289.07843 158.3
[M]+ 268.10321 159.8
[M]- 268.10431 159.8
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