CID 33777885

4-chloro-2-methoxy-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H4ClNO2S
SMILES
COC1=NC(=C(S1)C=O)Cl
InChI
InChI=1S/C5H4ClNO2S/c1-9-5-7-4(6)3(2-8)10-5/h2H,1H3
InChIKey
HHDKPSRVCUZBRQ-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.96513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.97241 130.1
[M+Na]+ 199.95435 142.1
[M-H]- 175.95785 133.7
[M+NH4]+ 194.99895 152.7
[M+K]+ 215.92829 139.1
[M+H-H2O]+ 159.96239 125.7
[M+HCOO]- 221.96333 146.1
[M+CH3COO]- 235.97898 175.1
[M+Na-2H]- 197.93980 132.6
[M]+ 176.96458 136.6
[M]- 176.96568 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe