CID 103695064

2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole

Structural Information

Molecular Formula
C9H4Cl3NS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CSC(=N2)Cl
InChI
InChI=1S/C9H4Cl3NS/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-4H
InChIKey
NMGTZAHKEBFTTQ-UHFFFAOYSA-N
Compound name
2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.913 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.92028 150.1
[M+Na]+ 285.90222 162.6
[M-H]- 261.90572 155.0
[M+NH4]+ 280.94682 169.6
[M+K]+ 301.87616 156.0
[M+H-H2O]+ 245.91026 145.6
[M+HCOO]- 307.91120 155.1
[M+CH3COO]- 321.92685 162.9
[M+Na-2H]- 283.88767 150.2
[M]+ 262.91245 154.7
[M]- 262.91355 154.7
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

No patent data available for this compound.