CID 2121619

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-(2-fluorophenyl)acetamide

Structural Information

Molecular Formula
C12H10ClFN2OS
SMILES
CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)CCl
InChI
InChI=1S/C12H10ClFN2OS/c1-8(17)16(11-5-3-2-4-10(11)14)12-15-9(6-13)7-18-12/h2-5,7H,6H2,1H3
InChIKey
DKBWAVMTAZCTTP-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01865 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02593 159.3
[M+Na]+ 307.00787 169.0
[M-H]- 283.01137 165.6
[M+NH4]+ 302.05247 177.6
[M+K]+ 322.98181 164.4
[M+H-H2O]+ 267.01591 151.7
[M+HCOO]- 329.01685 174.0
[M+CH3COO]- 343.03250 200.5
[M+Na-2H]- 304.99332 159.0
[M]+ 284.01810 163.8
[M]- 284.01920 163.8
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.