CID 12263634

1-(4-phenyl-1,3-thiazol-2-yl)propan-2-one

Structural Information

Molecular Formula
C12H11NOS
SMILES
CC(=O)CC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NOS/c1-9(14)7-12-13-11(8-15-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKey
SGCHHZKRNMRNDV-UHFFFAOYSA-N
Compound name
1-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05614 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 146.7
[M+Na]+ 240.04536 155.8
[M-H]- 216.04886 152.9
[M+NH4]+ 235.08996 166.4
[M+K]+ 256.01930 152.2
[M+H-H2O]+ 200.05340 140.0
[M+HCOO]- 262.05434 165.8
[M+CH3COO]- 276.06999 185.5
[M+Na-2H]- 238.03081 148.2
[M]+ 217.05559 149.4
[M]- 217.05669 149.4
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.