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

11
Patents

207.01541 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.022686 139.1
[M+Na]+ 230.004628 150.3
[M-H]- 206.008134 144.4
[M+NH4]+ 225.049233 159.5
[M+K]+ 245.978568 146.1
[M+H-H2O]+ 190.012670 131.8
[M+HCOO]- 252.013611 158.7
[M+CH3COO]- 266.029261 153.3
[M+Na-2H]- 227.990076 141.4
[M]+ 207.01486142 141.0
[M]- 207.01595858 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

patents stripe