CID 776772

4-formyl-2-methoxyphenyl thiophene-2-carboxylate

Structural Information

Molecular Formula
C13H10O4S
SMILES
COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CS2
InChI
InChI=1S/C13H10O4S/c1-16-11-7-9(8-14)4-5-10(11)17-13(15)12-3-2-6-18-12/h2-8H,1H3
InChIKey
ZOLFWKYWRIZFDP-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.02997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03725 156.9
[M+Na]+ 285.01919 166.0
[M-H]- 261.02269 164.6
[M+NH4]+ 280.06379 176.0
[M+K]+ 300.99313 163.3
[M+H-H2O]+ 245.02723 150.6
[M+HCOO]- 307.02817 177.6
[M+CH3COO]- 321.04382 191.6
[M+Na-2H]- 283.00464 157.6
[M]+ 262.02942 163.2
[M]- 262.03052 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe