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]+ 265.04415 155.7
[M+Na]+ 287.02609 164.9
[M-H]- 263.02959 162.1
[M+NH4]+ 282.07069 173.7
[M+K]+ 303.00003 161.9
[M+H-H2O]+ 247.03413 147.3
[M+HCOO]- 309.03507 175.4
[M+CH3COO]- 323.05072 198.0
[M+Na-2H]- 285.01154 156.0
[M]+ 264.03632 158.8
[M]- 264.03742 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.