CID 2734347

(2,5-dimethylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1029
Patents

150.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.092476 128.8
[M+Na]+ 173.074418 137.1
[M-H]- 149.077924 130.4
[M+NH4]+ 168.119023 149.3
[M+K]+ 189.048358 135.0
[M+H-H2O]+ 133.082460 124.2
[M+HCOO]- 195.083401 149.9
[M+CH3COO]- 209.099051 172.6
[M+Na-2H]- 171.059866 133.6
[M]+ 150.08465142 128.0
[M]- 150.08574858 128.0
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