CID 2797800

5-(4-methoxyphenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C12H10O2S
SMILES
COC1=CC=C(C=C1)C2=CC=C(S2)C=O
InChI
InChI=1S/C12H10O2S/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3
InChIKey
ODLOZSNXTQAWGQ-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

218.04015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.047426 145.6
[M+Na]+ 241.029368 155.8
[M-H]- 217.032874 153.5
[M+NH4]+ 236.073973 166.9
[M+K]+ 257.003308 152.2
[M+H-H2O]+ 201.037410 139.8
[M+HCOO]- 263.038351 167.2
[M+CH3COO]- 277.054001 185.2
[M+Na-2H]- 239.014816 147.7
[M]+ 218.03960142 150.2
[M]- 218.04069858 150.2
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