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]+ 207.027436 139.6
[M+Na]+ 229.009378 150.4
[M-H]- 205.012884 146.3
[M+NH4]+ 224.053983 161.4
[M+K]+ 244.983318 146.1
[M+H-H2O]+ 189.017420 133.2
[M+HCOO]- 251.018361 160.2
[M+CH3COO]- 265.034011 182.9
[M+Na-2H]- 226.994826 141.6
[M]+ 206.01961142 141.4
[M]- 206.02070858 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