CID 61280152

2-(3-chlorophenyl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H6ClNOS
SMILES
C1=CC(=CC(=C1)Cl)C2=NC=C(S2)C=O
InChI
InChI=1S/C10H6ClNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKey
RKGVAKDKVLXTCZ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.98586 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99314 145.0
[M+Na]+ 245.97508 160.1
[M+NH4]+ 241.01968 154.9
[M+K]+ 261.94902 151.6
[M-H]- 221.97858 149.0
[M+Na-2H]- 243.96053 153.4
[M]+ 222.98531 149.1
[M]- 222.98641 149.1
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.