CID 2995869

1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C12H10FNOS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)C
InChI
InChI=1S/C12H10FNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChIKey
MHEWBMAPHQDNDQ-UHFFFAOYSA-N
Compound name
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05398 147.9
[M+Na]+ 258.03592 158.7
[M-H]- 234.03942 153.4
[M+NH4]+ 253.08052 167.4
[M+K]+ 274.00986 154.6
[M+H-H2O]+ 218.04396 140.6
[M+HCOO]- 280.04490 165.8
[M+CH3COO]- 294.06055 190.4
[M+Na-2H]- 256.02137 147.5
[M]+ 235.04615 150.4
[M]- 235.04725 150.4
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

No patent data available for this compound.