CID 46738960

1073353-44-2

Structural Information

Molecular Formula
C13H18BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCl
InChI
InChI=1S/C13H18BClO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
InChIKey
KWUGBVHPELQIAF-UHFFFAOYSA-N
Compound name
2-[3-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.116116 151.3
[M+Na]+ 275.098058 161.5
[M-H]- 251.101564 159.9
[M+NH4]+ 270.142663 173.1
[M+K]+ 291.071998 159.8
[M+H-H2O]+ 235.106100 147.6
[M+HCOO]- 297.107041 167.7
[M+CH3COO]- 311.122691 192.6
[M+Na-2H]- 273.083506 156.9
[M]+ 252.10829142 156.2
[M]- 252.10938858 156.2
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.