CID 53429060

502630-89-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.10884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11612 149.8
[M+Na]+ 275.09806 161.0
[M-H]- 251.10156 158.9
[M+NH4]+ 270.14266 172.0
[M+K]+ 291.07200 159.3
[M+H-H2O]+ 235.10610 146.6
[M+HCOO]- 297.10704 166.3
[M+CH3COO]- 311.12269 193.8
[M+Na-2H]- 273.08351 155.1
[M]+ 252.10829 155.2
[M]- 252.10939 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

literature stripe

Patent stripe

patents stripe