CID 2737174

Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate

Structural Information

Molecular Formula
C12H9F2NO2S
SMILES
CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H9F2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChIKey
QZWCWKKYIGCUOG-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.0322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03948 154.1
[M+Na]+ 292.02142 164.7
[M-H]- 268.02492 158.1
[M+NH4]+ 287.06602 172.0
[M+K]+ 307.99536 160.6
[M+H-H2O]+ 252.02946 145.6
[M+HCOO]- 314.03040 171.1
[M+CH3COO]- 328.04605 194.5
[M+Na-2H]- 290.00687 153.2
[M]+ 269.03165 156.7
[M]- 269.03275 156.7
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