CID 46739089

1150114-35-4

Structural Information

Molecular Formula
C7H7BClNO3
SMILES
B(C1=C(C=CC(=C1)C(=O)N)Cl)(O)O
InChI
InChI=1S/C7H7BClNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
InChIKey
NXJCQEROEZKOJW-UHFFFAOYSA-N
Compound name
(5-carbamoyl-2-chlorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

199.02075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02803 137.1
[M+Na]+ 222.00997 148.1
[M+NH4]+ 217.05457 144.2
[M+K]+ 237.98391 144.3
[M-H]- 198.01347 137.5
[M+Na-2H]- 219.99542 141.7
[M]+ 199.02020 138.7
[M]- 199.02130 138.7
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