CID 2778987

3-phenoxythiophene-2-carbaldehyde

Structural Information

Molecular Formula
C11H8O2S
SMILES
C1=CC=C(C=C1)OC2=C(SC=C2)C=O
InChI
InChI=1S/C11H8O2S/c12-8-11-10(6-7-14-11)13-9-4-2-1-3-5-9/h1-8H
InChIKey
QHJDRZXMSDASSH-UHFFFAOYSA-N
Compound name
3-phenoxythiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

204.0245 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.031776 141.7
[M+Na]+ 227.013718 151.4
[M-H]- 203.017224 149.4
[M+NH4]+ 222.058323 163.2
[M+K]+ 242.987658 148.1
[M+H-H2O]+ 187.021760 135.8
[M+HCOO]- 249.022701 163.6
[M+CH3COO]- 263.038351 181.1
[M+Na-2H]- 224.999166 144.9
[M]+ 204.02395142 145.5
[M]- 204.02504858 145.5
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