CID 45036825

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

Structural Information

Molecular Formula
C10H6FNOS
SMILES
C1=CC(=CC(=C1)F)C2=NC=C(S2)C=O
InChI
InChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKey
DVWKNTOIBIVPPA-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.01541 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02269 139.1
[M+Na]+ 230.00463 150.3
[M-H]- 206.00813 144.4
[M+NH4]+ 225.04923 159.5
[M+K]+ 245.97857 146.1
[M+H-H2O]+ 190.01267 131.8
[M+HCOO]- 252.01361 158.7
[M+CH3COO]- 266.02926 153.3
[M+Na-2H]- 227.99008 141.4
[M]+ 207.01486 141.0
[M]- 207.01596 141.0
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.