CID 44886936

871332-73-9

Structural Information

Molecular Formula
C10H11BClNO3
SMILES
B(C1=CC(=C(C=C1)Cl)C(=O)NC2CC2)(O)O
InChI
InChI=1S/C10H11BClNO3/c12-9-4-1-6(11(15)16)5-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
InChIKey
AZBIVGURALLESY-UHFFFAOYSA-N
Compound name
[4-chloro-3-(cyclopropylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.05205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05933 148.2
[M+Na]+ 262.04127 160.6
[M+NH4]+ 257.08587 156.0
[M+K]+ 278.01521 157.3
[M-H]- 238.04477 156.9
[M+Na-2H]- 260.02672 156.2
[M]+ 239.05150 153.5
[M]- 239.05260 153.5
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