CID 16227620

5-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H8ClF3N2S
SMILES
C1=CC(=C(C=C1CC2=CN=C(S2)N)C(F)(F)F)Cl
InChI
InChI=1S/C11H8ClF3N2S/c12-9-2-1-6(4-8(9)11(13,14)15)3-7-5-17-10(16)18-7/h1-2,4-5H,3H2,(H2,16,17)
InChIKey
WVNFYZJWHGLXCF-UHFFFAOYSA-N
Compound name
5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00488 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01216 156.9
[M+Na]+ 314.99410 168.3
[M-H]- 290.99760 159.0
[M+NH4]+ 310.03870 174.3
[M+K]+ 330.96804 161.3
[M+H-H2O]+ 275.00214 148.4
[M+HCOO]- 337.00308 167.7
[M+CH3COO]- 351.01873 198.4
[M+Na-2H]- 312.97955 156.8
[M]+ 292.00433 156.3
[M]- 292.00543 156.3
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.