CID 43145395

[2,4-bis(propan-2-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C12H19BO2
SMILES
B(C1=C(C=C(C=C1)C(C)C)C(C)C)(O)O
InChI
InChI=1S/C12H19BO2/c1-8(2)10-5-6-12(13(14)15)11(7-10)9(3)4/h5-9,14-15H,1-4H3
InChIKey
RPNRGXOGAZPWKF-UHFFFAOYSA-N
Compound name
[2,4-di(propan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15509 147.2
[M+Na]+ 229.13703 153.2
[M-H]- 205.14053 148.3
[M+NH4]+ 224.18163 165.3
[M+K]+ 245.11097 151.3
[M+H-H2O]+ 189.14507 142.0
[M+HCOO]- 251.14601 165.0
[M+CH3COO]- 265.16166 186.6
[M+Na-2H]- 227.12248 147.4
[M]+ 206.14726 146.6
[M]- 206.14836 146.6
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