CID 165763465

2-chloro-1-(1,2-thiazol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C5H4ClNOS
SMILES
C1=CSN=C1C(=O)CCl
InChI
InChI=1S/C5H4ClNOS/c6-3-5(8)4-1-2-9-7-4/h1-2H,3H2
InChIKey
MJLQWPYBCZEBFF-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,2-thiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.97021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.97749 128.3
[M+Na]+ 183.95943 138.5
[M-H]- 159.96293 131.4
[M+NH4]+ 179.00403 151.0
[M+K]+ 199.93337 135.6
[M+H-H2O]+ 143.96747 123.6
[M+HCOO]- 205.96841 143.2
[M+CH3COO]- 219.98406 171.8
[M+Na-2H]- 181.94488 130.9
[M]+ 160.96966 132.1
[M]- 160.97076 132.1
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.