CID 46738901

5-chloro-2-(morpholine-4-carbonyl)phenylboronic acid

Structural Information

Molecular Formula
C11H13BClNO4
SMILES
B(C1=C(C=CC(=C1)Cl)C(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H13BClNO4/c13-8-1-2-9(10(7-8)12(16)17)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChIKey
DDFIHSITKHAAKQ-UHFFFAOYSA-N
Compound name
[5-chloro-2-(morpholine-4-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.06262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06990 155.4
[M+Na]+ 292.05184 161.3
[M-H]- 268.05534 158.3
[M+NH4]+ 287.09644 168.3
[M+K]+ 308.02578 158.6
[M+H-H2O]+ 252.05988 148.8
[M+HCOO]- 314.06082 165.5
[M+CH3COO]- 328.07647 189.0
[M+Na-2H]- 290.03729 157.6
[M]+ 269.06207 153.7
[M]- 269.06317 153.7
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