CID 16217680

B-(5-chloro-2-propoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H12BClO3
SMILES
B(C1=C(C=CC(=C1)Cl)OCCC)(O)O
InChI
InChI=1S/C9H12BClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
InChIKey
FZDSWPMDXOYUBB-UHFFFAOYSA-N
Compound name
(5-chloro-2-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

214.05681 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06409 141.5
[M+Na]+ 237.04603 150.0
[M-H]- 213.04953 142.8
[M+NH4]+ 232.09063 160.1
[M+K]+ 253.01997 146.3
[M+H-H2O]+ 197.05407 137.3
[M+HCOO]- 259.05501 158.0
[M+CH3COO]- 273.07066 181.6
[M+Na-2H]- 235.03148 145.4
[M]+ 214.05626 144.5
[M]- 214.05736 144.5
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