CID 6450646

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

Structural Information

Molecular Formula
C19H13F2NO2S
SMILES
C1=CC(=CC=C1/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C19H13F2NO2S/c20-14-6-1-12(2-7-14)3-10-17-22-19(16(25-17)11-18(23)24)13-4-8-15(21)9-5-13/h1-10H,11H2,(H,23,24)/b10-3+
InChIKey
BPNZMZLACXFKLO-XCVCLJGOSA-N
Compound name
2-[4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0635 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07078 184.0
[M+Na]+ 380.05272 196.2
[M+NH4]+ 375.09732 190.0
[M+K]+ 396.02666 188.3
[M-H]- 356.05622 185.7
[M+Na-2H]- 378.03817 190.3
[M]+ 357.06295 186.5
[M]- 357.06405 186.5
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.