CID 6450652

4-(4-bromophenyl)-2-(2-(4-chlorophenyl)ethenyl)-5-thiazoleacetic acid

Structural Information

Molecular Formula
C19H13BrClNO2S
SMILES
C1=CC(=CC=C1/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C19H13BrClNO2S/c20-14-6-4-13(5-7-14)19-16(11-18(23)24)25-17(22-19)10-3-12-1-8-15(21)9-2-12/h1-10H,11H2,(H,23,24)/b10-3+
InChIKey
SLVHFJZXXLSDTB-XCVCLJGOSA-N
Compound name
2-[4-(4-bromophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.9539 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.96118 182.5
[M+Na]+ 455.94312 188.2
[M+NH4]+ 450.98772 187.1
[M+K]+ 471.91706 185.8
[M-H]- 431.94662 185.7
[M+Na-2H]- 453.92857 187.6
[M]+ 432.95335 183.8
[M]- 432.95445 183.8
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

No patent data available for this compound.