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 138.1
[M+Na]+ 212.01406 147.3
[M-H]- 188.01756 144.3
[M+NH4]+ 207.05866 158.7
[M+K]+ 227.98800 144.1
[M+H-H2O]+ 172.02210 131.5
[M+HCOO]- 234.02304 157.9
[M+CH3COO]- 248.03869 152.1
[M+Na-2H]- 209.99951 141.3
[M]+ 189.02429 139.7
[M]- 189.02539 139.7
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