CID 16778517

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

Structural Information

Molecular Formula
C11H9F3N2OS
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)N)OC(F)(F)F
InChI
InChI=1S/C11H9F3N2OS/c12-11(13,14)17-8-3-1-7(2-4-8)5-9-6-16-10(15)18-9/h1-4,6H,5H2,(H2,15,16)
InChIKey
SRWPNXNORWHNNM-UHFFFAOYSA-N
Compound name
5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04604 154.0
[M+Na]+ 297.02798 163.9
[M-H]- 273.03148 155.9
[M+NH4]+ 292.07258 171.0
[M+K]+ 313.00192 159.0
[M+H-H2O]+ 257.03602 144.6
[M+HCOO]- 319.03696 169.8
[M+CH3COO]- 333.05261 195.6
[M+Na-2H]- 295.01343 155.3
[M]+ 274.03821 152.4
[M]- 274.03931 152.4
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.