CID 130013822

234450-60-3

Structural Information

Molecular Formula
C6H5ClN2O2S
SMILES
CC(=O)NC1=NC(=C(S1)C=O)Cl
InChI
InChI=1S/C6H5ClN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)
InChIKey
CQLVPZFIAQITTK-UHFFFAOYSA-N
Compound name
N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

203.97603 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.983306 139.0
[M+Na]+ 226.965248 149.6
[M-H]- 202.968754 142.5
[M+NH4]+ 222.009853 160.0
[M+K]+ 242.939188 146.0
[M+H-H2O]+ 186.973290 134.1
[M+HCOO]- 248.974231 154.8
[M+CH3COO]- 262.989881 182.2
[M+Na-2H]- 224.950696 140.4
[M]+ 203.97548142 143.7
[M]- 203.97657858 143.7
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

patents stripe