CID 56776825

1030832-75-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe