CID 2608794

5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H8Cl2N2S
SMILES
C1=CC(=C(C(=C1)Cl)CC2=CN=C(S2)N)Cl
InChI
InChI=1S/C10H8Cl2N2S/c11-8-2-1-3-9(12)7(8)4-6-5-14-10(13)15-6/h1-3,5H,4H2,(H2,13,14)
InChIKey
YTRQCFMFZRRPEL-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.97852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98580 152.6
[M+Na]+ 280.96774 164.2
[M-H]- 256.97124 158.0
[M+NH4]+ 276.01234 171.8
[M+K]+ 296.94168 157.2
[M+H-H2O]+ 240.97578 147.3
[M+HCOO]- 302.97672 163.2
[M+CH3COO]- 316.99237 165.4
[M+Na-2H]- 278.95319 152.9
[M]+ 257.97797 156.2
[M]- 257.97907 156.2
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.