CID 28858

Fenclozic acid

Structural Information

Molecular Formula
C11H8ClNO2S
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
APBSKHYXXKHJFK-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

8183
Patents

252.99643 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00371 152.7
[M+Na]+ 275.98565 166.2
[M+NH4]+ 271.03025 161.4
[M+K]+ 291.95959 159.1
[M-H]- 251.98915 155.5
[M+Na-2H]- 273.97110 159.6
[M]+ 252.99588 156.1
[M]- 252.99698 156.1
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