CID 16769708

5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H7F3N2S
SMILES
C1=CC(=C(C(=C1CC2=CN=C(S2)N)F)F)F
InChI
InChI=1S/C10H7F3N2S/c11-7-2-1-5(8(12)9(7)13)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15)
InChIKey
FCGFLMKPFPJGAV-UHFFFAOYSA-N
Compound name
5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0282 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03548 151.2
[M+Na]+ 267.01742 161.2
[M+NH4]+ 262.06202 157.8
[M+K]+ 282.99136 154.9
[M-H]- 243.02092 151.0
[M+Na-2H]- 265.00287 156.0
[M]+ 244.02765 152.7
[M]- 244.02875 152.7
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.