CID 3133053

450360-92-6

Structural Information

Molecular Formula
C12H10ClFN2OS
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)CCl)F
InChI
InChI=1S/C12H10ClFN2OS/c13-6-11(17)16-12-15-7-10(18-12)5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2,(H,15,16,17)
InChIKey
DQSXBGDQZPPDSC-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01865 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02593 159.3
[M+Na]+ 307.00787 171.1
[M+NH4]+ 302.05247 167.3
[M+K]+ 322.98181 163.7
[M-H]- 283.01137 161.6
[M+Na-2H]- 304.99332 165.9
[M]+ 284.01810 162.2
[M]- 284.01920 162.2
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.