CID 6450642

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

Structural Information

Molecular Formula
C19H13ClFNO2S
SMILES
C1=CC=C(C(=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C19H13ClFNO2S/c20-14-8-5-13(6-9-14)19-16(11-18(23)24)25-17(22-19)10-7-12-3-1-2-4-15(12)21/h1-10H,11H2,(H,23,24)/b10-7+
InChIKey
JOUZYHYCQHWDAM-JXMROGBWSA-N
Compound name
2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03397 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04125 185.5
[M+Na]+ 396.02319 199.9
[M+NH4]+ 391.06779 192.9
[M+K]+ 411.99713 191.0
[M-H]- 372.02669 189.1
[M+Na-2H]- 394.00864 193.0
[M]+ 373.03342 189.3
[M]- 373.03452 189.3
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.