CID 18704552

3-benzoyl-1,2-thiazole

Structural Information

Molecular Formula
C10H7NOS
SMILES
C1=CC=C(C=C1)C(=O)C2=NSC=C2
InChI
InChI=1S/C10H7NOS/c12-10(9-6-7-13-11-9)8-4-2-1-3-5-8/h1-7H
InChIKey
MBZOPDRCVGRSBS-UHFFFAOYSA-N
Compound name
phenyl(1,2-thiazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

189.02484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03212 138.4
[M+Na]+ 212.01406 151.6
[M+NH4]+ 207.05866 147.9
[M+K]+ 227.98800 144.5
[M-H]- 188.01756 142.1
[M+Na-2H]- 209.99951 146.9
[M]+ 189.02429 141.8
[M]- 189.02539 141.8
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

patents stripe