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 144.4
[M+Na]+ 267.01742 156.3
[M-H]- 243.02092 146.9
[M+NH4]+ 262.06202 163.2
[M+K]+ 282.99136 150.6
[M+H-H2O]+ 227.02546 135.3
[M+HCOO]- 289.02640 161.8
[M+CH3COO]- 303.04205 193.2
[M+Na-2H]- 265.00287 143.9
[M]+ 244.02765 142.6
[M]- 244.02875 142.6
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.