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 170.7
[M+Na]+ 366.95690 181.0
[M-H]- 342.96040 177.1
[M+NH4]+ 362.00150 187.5
[M+K]+ 382.93084 175.1
[M+H-H2O]+ 326.96494 166.9
[M+HCOO]- 388.96588 179.0
[M+CH3COO]- 402.98153 204.0
[M+Na-2H]- 364.94235 167.6
[M]+ 343.96713 179.0
[M]- 343.96823 179.0
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