CID 41659

Ce 3649

Structural Information

Molecular Formula
C14H10Cl2O4S
SMILES
CC1=CC=C(S1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C14H10Cl2O4S/c1-7-2-5-10(21-7)14(19)8-3-4-9(13(16)12(8)15)20-6-11(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKey
ZLTLJZHUOPTYFK-UHFFFAOYSA-N
Compound name
2-[2,3-dichloro-4-(5-methylthiophene-2-carbonyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

343.96768 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97496 173.9
[M+Na]+ 366.95690 186.7
[M+NH4]+ 362.00150 181.2
[M+K]+ 382.93084 180.1
[M-H]- 342.96040 175.7
[M+Na-2H]- 364.94235 178.6
[M]+ 343.96713 177.1
[M]- 343.96823 177.1
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

patents stripe