CID 3587169

249504-37-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.04015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04743 146.6
[M+Na]+ 241.02937 160.3
[M+NH4]+ 236.07397 156.2
[M+K]+ 257.00331 152.5
[M-H]- 217.03287 150.9
[M+Na-2H]- 239.01482 154.5
[M]+ 218.03960 150.3
[M]- 218.04070 150.3
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