CID 540397

7520-94-7

Structural Information

Molecular Formula
C12H11NOS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C12H11NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
RXSKZUOBXJWMHY-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
Patents

217.05614 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 146.2
[M+Na]+ 240.04536 156.1
[M-H]- 216.04886 152.7
[M+NH4]+ 235.08996 166.2
[M+K]+ 256.01930 152.5
[M+H-H2O]+ 200.05340 139.7
[M+HCOO]- 262.05434 165.2
[M+CH3COO]- 276.06999 186.6
[M+Na-2H]- 238.03081 147.0
[M]+ 217.05559 149.3
[M]- 217.05669 149.3
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