CID 215656

2-methoxyphenyl 2-thiophenecarboxylate

Structural Information

Molecular Formula
C12H10O3S
SMILES
COC1=CC=CC=C1OC(=O)C2=CC=CS2
InChI
InChI=1S/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3
InChIKey
LCVPOIWPINSTGT-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.03506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 150.4
[M+Na]+ 257.02428 159.2
[M-H]- 233.02778 158.0
[M+NH4]+ 252.06888 170.6
[M+K]+ 272.99822 156.7
[M+H-H2O]+ 217.03232 144.2
[M+HCOO]- 279.03326 171.2
[M+CH3COO]- 293.04891 186.2
[M+Na-2H]- 255.00973 152.1
[M]+ 234.03451 155.3
[M]- 234.03561 155.3
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

patents stripe