CID 129522002

4-(benzyloxy)thiophene-3-carbaldehyde

Structural Information

Molecular Formula
C12H10O2S
SMILES
C1=CC=C(C=C1)COC2=CSC=C2C=O
InChI
InChI=1S/C12H10O2S/c13-6-11-8-15-9-12(11)14-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKey
XOOZRKYVZKNUOW-UHFFFAOYSA-N
Compound name
4-phenylmethoxythiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.047426 146.2
[M+Na]+ 241.029368 155.5
[M-H]- 217.032874 153.7
[M+NH4]+ 236.073973 167.2
[M+K]+ 257.003308 151.9
[M+H-H2O]+ 201.037410 140.1
[M+HCOO]- 263.038351 167.8
[M+CH3COO]- 277.054001 184.1
[M+Na-2H]- 239.014816 148.9
[M]+ 218.03960142 150.4
[M]- 218.04069858 150.4
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.