CID 3423449

4-(2,5-dichlorophenyl)-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C10H5Cl2NOS
SMILES
C1=CC(=C(C=C1Cl)C2=CSC(=N2)C=O)Cl
InChI
InChI=1S/C10H5Cl2NOS/c11-6-1-2-8(12)7(3-6)9-5-15-10(4-14)13-9/h1-5H
InChIKey
UILXHAOEWSAUCD-UHFFFAOYSA-N
Compound name
4-(2,5-dichlorophenyl)-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9469 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95418 150.3
[M+Na]+ 279.93612 163.0
[M-H]- 255.93962 156.5
[M+NH4]+ 274.98072 170.1
[M+K]+ 295.91006 156.6
[M+H-H2O]+ 239.94416 145.3
[M+HCOO]- 301.94510 161.0
[M+CH3COO]- 315.96075 164.0
[M+Na-2H]- 277.92157 151.2
[M]+ 256.94635 156.3
[M]- 256.94745 156.3
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.