CID 3578053

5-(3-fluorophenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C11H7FOS
SMILES
C1=CC(=CC(=C1)F)C2=CC=C(S2)C=O
InChI
InChI=1S/C11H7FOS/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
InChIKey
AMTYNYZDGZBISY-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe