CID 20100254

893741-43-0

Structural Information

Molecular Formula
C12H9FOS
SMILES
CC(=O)C1=CC=C(S1)C2=CC=CC=C2F
InChI
InChI=1S/C12H9FOS/c1-8(14)11-6-7-12(15-11)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKey
STZVVNHTNILYSJ-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03581 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04309 147.6
[M+Na]+ 243.02503 160.3
[M+NH4]+ 238.06963 156.8
[M+K]+ 258.99897 152.8
[M-H]- 219.02853 150.6
[M+Na-2H]- 241.01048 154.7
[M]+ 220.03526 150.7
[M]- 220.03636 150.7
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.