CID 133636014

4-chloro-6-methyl-3-cyclopropylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C16H22BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)Cl)C3CC3
InChI
InChI=1S/C16H22BClO2/c1-10-8-14(18)12(11-6-7-11)9-13(10)17-19-15(2,3)16(4,5)20-17/h8-9,11H,6-7H2,1-5H3
InChIKey
MPPBOYCHZXAPOI-UHFFFAOYSA-N
Compound name
2-(4-chloro-5-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14014 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14742 157.7
[M+Na]+ 315.12936 169.5
[M-H]- 291.13286 170.0
[M+NH4]+ 310.17396 173.3
[M+K]+ 331.10330 168.3
[M+H-H2O]+ 275.13740 153.9
[M+HCOO]- 337.13834 172.5
[M+CH3COO]- 351.15399 204.8
[M+Na-2H]- 313.11481 161.2
[M]+ 292.13959 165.8
[M]- 292.14069 165.8
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

No patent data available for this compound.