CID 53407596

2-chloro-1-(2-chloro-thiazol-5-yl)-ethanone

Structural Information

Molecular Formula
C5H3Cl2NOS
SMILES
C1=C(SC(=N1)Cl)C(=O)CCl
InChI
InChI=1S/C5H3Cl2NOS/c6-1-3(9)4-2-8-5(7)10-4/h2H,1H2
InChIKey
HLWSJFNCRQBIDA-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

194.93124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.93852 133.9
[M+Na]+ 217.92046 145.0
[M-H]- 193.92396 136.7
[M+NH4]+ 212.96506 155.7
[M+K]+ 233.89440 140.7
[M+H-H2O]+ 177.92850 130.0
[M+HCOO]- 239.92944 143.5
[M+CH3COO]- 253.94509 177.7
[M+Na-2H]- 215.90591 135.1
[M]+ 194.93069 138.6
[M]- 194.93179 138.6
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