CID 3539716

2-chloro-4-ethoxyphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C8H10BClO3
SMILES
B(C1=C(C=C(C=C1)OCC)Cl)(O)O
InChI
InChI=1S/C8H10BClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3
InChIKey
GMFQJZUNQAJZDH-UHFFFAOYSA-N
Compound name
(2-chloro-4-ethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

200.04115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.048426 136.8
[M+Na]+ 223.030368 145.7
[M-H]- 199.033874 138.2
[M+NH4]+ 218.074973 156.0
[M+K]+ 239.004308 142.2
[M+H-H2O]+ 183.038410 132.8
[M+HCOO]- 245.039351 153.7
[M+CH3COO]- 259.055001 178.6
[M+Na-2H]- 221.015816 141.3
[M]+ 200.04060142 139.4
[M]- 200.04169858 139.4
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