CID 5723925

3-(4-methoxyphenyl)-1-(2-thienyl)-2-propen-1-one

Structural Information

Molecular Formula
C14H12O2S
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CS2
InChI
InChI=1S/C14H12O2S/c1-16-12-7-4-11(5-8-12)6-9-13(15)14-3-2-10-17-14/h2-10H,1H3/b9-6+
InChIKey
VMWUXSVSQGMOLS-RMKNXTFCSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.0558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06308 155.3
[M+Na]+ 267.04502 163.7
[M-H]- 243.04852 162.6
[M+NH4]+ 262.08962 175.1
[M+K]+ 283.01896 159.6
[M+H-H2O]+ 227.05306 149.0
[M+HCOO]- 289.05400 175.3
[M+CH3COO]- 303.06965 189.3
[M+Na-2H]- 265.03047 155.9
[M]+ 244.05525 158.8
[M]- 244.05635 158.8
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