CID 53403536

2-(2-fluorophenyl)-1,3-thiazole-5-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 142.6
[M+Na]+ 230.00463 155.9
[M+NH4]+ 225.04923 151.4
[M+K]+ 245.97857 148.3
[M-H]- 206.00813 145.0
[M+Na-2H]- 227.99008 150.1
[M]+ 207.01486 145.6
[M]- 207.01596 145.6
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