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]+ 201.04843 136.8
[M+Na]+ 223.03037 145.7
[M-H]- 199.03387 138.2
[M+NH4]+ 218.07497 156.0
[M+K]+ 239.00431 142.2
[M+H-H2O]+ 183.03841 132.8
[M+HCOO]- 245.03935 153.7
[M+CH3COO]- 259.05500 178.6
[M+Na-2H]- 221.01582 141.3
[M]+ 200.04060 139.4
[M]- 200.04170 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