CID 215805

Chloromethoxyphenyl 2-thiophenecarboxylate

Structural Information

Molecular Formula
C12H9ClO3S
SMILES
C1=CC=C(C(=C1)OCCl)OC(=O)C2=CC=CS2
InChI
InChI=1S/C12H9ClO3S/c13-8-15-9-4-1-2-5-10(9)16-12(14)11-6-3-7-17-11/h1-7H,8H2
InChIKey
MOTDWDGHNDNGMT-UHFFFAOYSA-N
Compound name
[2-(chloromethoxy)phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9961 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.003376 156.8
[M+Na]+ 290.985318 166.2
[M-H]- 266.988824 164.3
[M+NH4]+ 286.029923 176.4
[M+K]+ 306.959258 162.0
[M+H-H2O]+ 250.993360 151.3
[M+HCOO]- 312.994301 172.9
[M+CH3COO]- 327.009951 190.0
[M+Na-2H]- 288.970766 158.1
[M]+ 267.99555142 163.7
[M]- 267.99664858 163.7
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.