CID 79884535

2-(3-chlorophenyl)-1,3-thiazol-4-amine dihydrochloride

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
C1=CC(=CC(=C1)Cl)C2=NC(=CS2)N
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-2-6(4-7)9-12-8(11)5-13-9/h1-5H,11H2
InChIKey
UNEXJCJBOQYSJT-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00185 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00913 141.1
[M+Na]+ 232.99107 152.2
[M-H]- 208.99457 147.1
[M+NH4]+ 228.03567 161.7
[M+K]+ 248.96501 146.6
[M+H-H2O]+ 192.99911 135.3
[M+HCOO]- 255.00005 157.3
[M+CH3COO]- 269.01570 155.0
[M+Na-2H]- 230.97652 143.5
[M]+ 210.00130 143.1
[M]- 210.00240 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.