CID 2783008

886361-46-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe