CID 55255302

1268631-42-0

Structural Information

Molecular Formula
C9H11BO2
SMILES
B(/C=C/C1=CC=CC=C1C)(O)O
InChI
InChI=1S/C9H11BO2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+
InChIKey
JRTMWGSJUIVSRX-VOTSOKGWSA-N
Compound name
[(E)-2-(2-methylphenyl)ethenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09248 133.1
[M+Na]+ 185.07442 140.3
[M-H]- 161.07792 134.2
[M+NH4]+ 180.11902 152.7
[M+K]+ 201.04836 137.4
[M+H-H2O]+ 145.08246 128.1
[M+HCOO]- 207.08340 154.1
[M+CH3COO]- 221.09905 172.9
[M+Na-2H]- 183.05987 138.1
[M]+ 162.08465 131.4
[M]- 162.08575 131.4
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