CID 45791927

N-(4-fluorophenyl)-n-(4-formyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C12H9FN2O2S
SMILES
CC(=O)N(C1=CC=C(C=C1)F)C2=NC(=CS2)C=O
InChI
InChI=1S/C12H9FN2O2S/c1-8(17)15(11-4-2-9(13)3-5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKey
ZJFCQJCSLNUPAY-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03687 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.044146 155.7
[M+Na]+ 287.026088 164.9
[M-H]- 263.029594 162.1
[M+NH4]+ 282.070693 173.7
[M+K]+ 303.000028 161.9
[M+H-H2O]+ 247.034130 147.3
[M+HCOO]- 309.035071 175.4
[M+CH3COO]- 323.050721 198.0
[M+Na-2H]- 285.011536 156.0
[M]+ 264.03632142 158.8
[M]- 264.03741858 158.8
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.