CID 5018022

4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H8Cl2N2S
SMILES
CC1=C(N=C(S1)N)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14)
InChIKey
SUELLSJOIIXFPP-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

257.97852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98580 152.7
[M+Na]+ 280.96774 165.2
[M-H]- 256.97124 158.5
[M+NH4]+ 276.01234 172.3
[M+K]+ 296.94168 158.2
[M+H-H2O]+ 240.97578 147.8
[M+HCOO]- 302.97672 163.3
[M+CH3COO]- 316.99237 165.9
[M+Na-2H]- 278.95319 152.4
[M]+ 257.97797 156.7
[M]- 257.97907 156.7
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