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 161.3
[M+Na]+ 305.00097 170.3
[M-H]- 281.00447 168.7
[M+NH4]+ 300.04557 180.4
[M+K]+ 320.97491 165.8
[M+H-H2O]+ 265.00901 155.7
[M+HCOO]- 327.00995 177.1
[M+CH3COO]- 341.02560 192.9
[M+Na-2H]- 302.98642 162.1
[M]+ 282.01120 168.6
[M]- 282.01230 168.6
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.