CID 2781529

2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C11H9ClN2OS/c12-6-10(15)14-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)
InChIKey
FFAWPJLADWBKCB-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

252.0124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.019676 153.1
[M+Na]+ 275.001618 162.3
[M-H]- 251.005124 159.1
[M+NH4]+ 270.046223 171.8
[M+K]+ 290.975558 157.0
[M+H-H2O]+ 235.009660 146.6
[M+HCOO]- 297.010601 168.7
[M+CH3COO]- 311.026251 165.8
[M+Na-2H]- 272.987066 155.1
[M]+ 252.01185142 156.4
[M]- 252.01294858 156.4
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