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 144.6
[M+Na]+ 243.02503 154.5
[M-H]- 219.02853 151.1
[M+NH4]+ 238.06963 165.7
[M+K]+ 258.99897 150.5
[M+H-H2O]+ 203.03307 138.0
[M+HCOO]- 265.03401 163.7
[M+CH3COO]- 279.04966 186.7
[M+Na-2H]- 241.01048 144.9
[M]+ 220.03526 146.1
[M]- 220.03636 146.1
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.