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]+ 269.00338 156.8
[M+Na]+ 290.98532 166.2
[M-H]- 266.98882 164.3
[M+NH4]+ 286.02992 176.4
[M+K]+ 306.95926 162.0
[M+H-H2O]+ 250.99336 151.3
[M+HCOO]- 312.99430 172.9
[M+CH3COO]- 327.00995 190.0
[M+Na-2H]- 288.97077 158.1
[M]+ 267.99555 163.7
[M]- 267.99665 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.