CID 41662

Anp 7155

Structural Information

Molecular Formula
C13H10Cl2O3S
SMILES
C1=CSC(=C1)CC2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C13H10Cl2O3S/c14-12-8(6-9-2-1-5-19-9)3-4-10(13(12)15)18-7-11(16)17/h1-5H,6-7H2,(H,16,17)
InChIKey
CAANODYIPBBLNZ-UHFFFAOYSA-N
Compound name
2-[2,3-dichloro-4-(thiophen-2-ylmethyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.97278 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98006 167.3
[M+Na]+ 338.96200 180.9
[M+NH4]+ 334.00660 175.9
[M+K]+ 354.93594 173.1
[M-H]- 314.96550 170.1
[M+Na-2H]- 336.94745 173.3
[M]+ 315.97223 171.1
[M]- 315.97333 171.1
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

No patent data available for this compound.