CID 2526761

851879-29-3

Structural Information

Molecular Formula
C11H8BrNO2S
SMILES
C1=CC(=CC(=C1)Br)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C11H8BrNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
IDCRSZLCNDGRCW-UHFFFAOYSA-N
Compound name
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.94592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.95320 148.5
[M+Na]+ 319.93514 151.7
[M+NH4]+ 314.97974 153.2
[M+K]+ 335.90908 152.0
[M-H]- 295.93864 149.6
[M+Na-2H]- 317.92059 152.3
[M]+ 296.94537 148.4
[M]- 296.94647 148.4
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

No patent data available for this compound.