CID 3577778

249504-38-9

Structural Information

Molecular Formula
C11H7FOS
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C=O)F
InChI
InChI=1S/C11H7FOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
JSWYSOJZYJPLNN-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

206.02016 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02744 139.6
[M+Na]+ 229.00938 150.4
[M-H]- 205.01288 146.3
[M+NH4]+ 224.05398 161.4
[M+K]+ 244.98332 146.1
[M+H-H2O]+ 189.01742 133.2
[M+HCOO]- 251.01836 160.2
[M+CH3COO]- 265.03401 182.9
[M+Na-2H]- 226.99483 141.6
[M]+ 206.01961 141.4
[M]- 206.02071 141.4
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