CID 155973831

2-chloro-1-(5-methyl-1,2-thiazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6ClNOS
SMILES
CC1=C(C=NS1)C(=O)CCl
InChI
InChI=1S/C6H6ClNOS/c1-4-5(3-8-10-4)6(9)2-7/h3H,2H2,1H3
InChIKey
KRBUEMKISOUWLJ-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-methyl-1,2-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.98586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99314 134.1
[M+Na]+ 197.97508 146.2
[M+NH4]+ 193.01968 143.2
[M+K]+ 213.94902 139.7
[M-H]- 173.97858 135.1
[M+Na-2H]- 195.96053 139.0
[M]+ 174.98531 136.7
[M]- 174.98641 136.7
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

No patent data available for this compound.