CID 215807

Chloroethoxyphenyl 2-thiophenecarboxylate

Structural Information

Molecular Formula
C13H11ClO3S
SMILES
C1=CC=C(C(=C1)OCCCl)OC(=O)C2=CC=CS2
InChI
InChI=1S/C13H11ClO3S/c14-7-8-16-10-4-1-2-5-11(10)17-13(15)12-6-3-9-18-12/h1-6,9H,7-8H2
InChIKey
ACBYCJLPYXQDEC-UHFFFAOYSA-N
Compound name
[2-(2-chloroethoxy)phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.01175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01903 160.5
[M+Na]+ 305.00097 173.4
[M+NH4]+ 300.04557 169.4
[M+K]+ 320.97491 165.7
[M-H]- 281.00447 163.9
[M+Na-2H]- 302.98642 167.7
[M]+ 282.01120 164.0
[M]- 282.01230 164.0
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

No patent data available for this compound.