CID 44118748

850568-26-2

Structural Information

Molecular Formula
C10H9BN2O3S
SMILES
B(C1=CC=C(C=C1)C(=O)NC2=NC=CS2)(O)O
InChI
InChI=1S/C10H9BN2O3S/c14-9(13-10-12-5-6-17-10)7-1-3-8(4-2-7)11(15)16/h1-6,15-16H,(H,12,13,14)
InChIKey
PXEKEOLNPCSWKZ-UHFFFAOYSA-N
Compound name
[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

248.0427 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04998 151.9
[M+Na]+ 271.03192 161.5
[M+NH4]+ 266.07652 158.7
[M+K]+ 287.00586 157.4
[M-H]- 247.03542 153.5
[M+Na-2H]- 269.01737 157.5
[M]+ 248.04215 153.8
[M]- 248.04325 153.8
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