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

63
Patents

248.0427 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04998 151.2
[M+Na]+ 271.03192 158.1
[M-H]- 247.03542 154.6
[M+NH4]+ 266.07652 167.5
[M+K]+ 287.00586 154.4
[M+H-H2O]+ 231.03996 144.4
[M+HCOO]- 293.04090 167.9
[M+CH3COO]- 307.05655 186.2
[M+Na-2H]- 269.01737 152.5
[M]+ 248.04215 151.1
[M]- 248.04325 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe