CID 73241

2-amino-4-(4-chlorophenyl)thiazole

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)Cl
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
DWGWNNCHJPKZNC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

540
Patents

210.00185 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009126 141.1
[M+Na]+ 232.991068 152.2
[M-H]- 208.994574 147.1
[M+NH4]+ 228.035673 161.7
[M+K]+ 248.965008 146.6
[M+H-H2O]+ 192.999110 135.3
[M+HCOO]- 255.000051 157.3
[M+CH3COO]- 269.015701 155.0
[M+Na-2H]- 230.976516 143.5
[M]+ 210.00130142 143.1
[M]- 210.00239858 143.1
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