CID 12263622

58351-05-6

Structural Information

Molecular Formula
C11H9NOS
SMILES
CC(=O)C1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C11H9NOS/c1-8(13)11-12-10(7-14-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
WLRIQFOJQQWQRX-UHFFFAOYSA-N
Compound name
1-(4-phenyl-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

203.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 142.2
[M+Na]+ 226.02970 151.8
[M-H]- 202.03320 148.6
[M+NH4]+ 221.07430 162.5
[M+K]+ 242.00364 148.3
[M+H-H2O]+ 186.03774 135.7
[M+HCOO]- 248.03868 161.6
[M+CH3COO]- 262.05433 156.1
[M+Na-2H]- 224.01515 144.2
[M]+ 203.03993 144.5
[M]- 203.04103 144.5
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