CID 3061148

78747-66-7

Structural Information

Molecular Formula
C16H14Cl2O5S
SMILES
COCCOC(=O)COC1=C(C(=C(C=C1)C(=O)C2=CC=CS2)Cl)Cl
InChI
InChI=1S/C16H14Cl2O5S/c1-21-6-7-22-13(19)9-23-11-5-4-10(14(17)15(11)18)16(20)12-3-2-8-24-12/h2-5,8H,6-7,9H2,1H3
InChIKey
BMOLRVXVPKRJLZ-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9939 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00118 183.3
[M+Na]+ 410.98312 192.2
[M-H]- 386.98662 190.5
[M+NH4]+ 406.02772 198.7
[M+K]+ 426.95706 187.3
[M+H-H2O]+ 370.99116 178.4
[M+HCOO]- 432.99210 192.7
[M+CH3COO]- 447.00775 212.3
[M+Na-2H]- 408.96857 180.4
[M]+ 387.99335 195.0
[M]- 387.99445 195.0
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