CID 68479

579-49-7

Structural Information

Molecular Formula
C11H7FOS
SMILES
C1=CSC(=C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H
InChIKey
NLTRJPXIYKYMKT-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

206.02016 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02744 140.7
[M+Na]+ 229.00938 150.2
[M-H]- 205.01288 147.0
[M+NH4]+ 224.05398 162.0
[M+K]+ 244.98332 146.4
[M+H-H2O]+ 189.01742 134.0
[M+HCOO]- 251.01836 160.2
[M+CH3COO]- 265.03401 182.6
[M+Na-2H]- 226.99483 142.2
[M]+ 206.01961 141.5
[M]- 206.02071 141.5
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.