CID 2734352

(4-ethylphenyl)boronic acid

Structural Information

Molecular Formula
C8H11BO2
SMILES
B(C1=CC=C(C=C1)CC)(O)O
InChI
InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey
RZCPLOMUUCFPQA-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2000
Patents

150.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09248 129.5
[M+Na]+ 173.07442 136.9
[M-H]- 149.07792 130.8
[M+NH4]+ 168.11902 149.7
[M+K]+ 189.04836 134.8
[M+H-H2O]+ 133.08246 124.6
[M+HCOO]- 195.08340 150.7
[M+CH3COO]- 209.09905 171.5
[M+Na-2H]- 171.05987 135.1
[M]+ 150.08465 128.3
[M]- 150.08575 128.3
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