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]+ 207.027436 140.7
[M+Na]+ 229.009378 150.2
[M-H]- 205.012884 147.0
[M+NH4]+ 224.053983 162.0
[M+K]+ 244.983318 146.4
[M+H-H2O]+ 189.017420 134.0
[M+HCOO]- 251.018361 160.2
[M+CH3COO]- 265.034011 182.6
[M+Na-2H]- 226.994826 142.2
[M]+ 206.01961142 141.5
[M]- 206.02070858 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

literature stripe

Patent stripe

patents stripe