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

76
Patents

203.97603 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98331 139.0
[M+Na]+ 226.96525 149.6
[M-H]- 202.96875 142.5
[M+NH4]+ 222.00985 160.0
[M+K]+ 242.93919 146.0
[M+H-H2O]+ 186.97329 134.1
[M+HCOO]- 248.97423 154.8
[M+CH3COO]- 262.98988 182.2
[M+Na-2H]- 224.95070 140.4
[M]+ 203.97548 143.7
[M]- 203.97658 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