CID 135426081

2-[(4-fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one

Structural Information

Molecular Formula
C9H7FN2OS
SMILES
C1C(=O)NC(=NC2=CC=C(C=C2)F)S1
InChI
InChI=1S/C9H7FN2OS/c10-6-1-3-7(4-2-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKey
ABBIJUYBGHHPFV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

210.0263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03358 140.9
[M+Na]+ 233.01552 149.8
[M-H]- 209.01902 145.5
[M+NH4]+ 228.06012 160.5
[M+K]+ 248.98946 145.5
[M+H-H2O]+ 193.02356 133.4
[M+HCOO]- 255.02450 159.1
[M+CH3COO]- 269.04015 183.4
[M+Na-2H]- 231.00097 142.5
[M]+ 210.02575 138.1
[M]- 210.02685 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe