CID 4052210

1-[4-(thiophen-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H10OS
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=CS2
InChI
InChI=1S/C12H10OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
InChIKey
VZCHCIWHJLPPNF-UHFFFAOYSA-N
Compound name
1-(4-thiophen-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

202.04524 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 142.9
[M+Na]+ 225.03446 152.0
[M-H]- 201.03796 150.6
[M+NH4]+ 220.07906 164.6
[M+K]+ 241.00840 148.5
[M+H-H2O]+ 185.04250 137.2
[M+HCOO]- 247.04344 163.2
[M+CH3COO]- 261.05909 182.9
[M+Na-2H]- 223.01991 144.5
[M]+ 202.04469 145.2
[M]- 202.04579 145.2
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