CID 79016261

1688649-04-8

Structural Information

Molecular Formula
C13H18BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)Cl)C
InChI
InChI=1S/C13H18BClO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChIKey
GMCOKTFYYVXBTH-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

252.10884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.116116 149.8
[M+Na]+ 275.098058 161.0
[M-H]- 251.101564 158.9
[M+NH4]+ 270.142663 172.0
[M+K]+ 291.071998 159.3
[M+H-H2O]+ 235.106100 146.6
[M+HCOO]- 297.107041 166.3
[M+CH3COO]- 311.122691 193.8
[M+Na-2H]- 273.083506 155.1
[M]+ 252.10829142 155.2
[M]- 252.10938858 155.2
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

patents stripe