CID 2728459

1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H10ClNOS
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)C
InChI
InChI=1S/C12H10ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKey
XMWJEFHMMZUNES-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

39
Patents

251.01717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02445 152.4
[M+Na]+ 274.00639 163.8
[M-H]- 250.00989 159.1
[M+NH4]+ 269.05099 172.1
[M+K]+ 289.98033 158.4
[M+H-H2O]+ 234.01443 146.7
[M+HCOO]- 296.01537 166.6
[M+CH3COO]- 310.03102 191.5
[M+Na-2H]- 271.99184 152.0
[M]+ 251.01662 157.7
[M]- 251.01772 157.7
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