CID 29928367

5-(3-fluorophenoxy)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H7FN2OS
SMILES
C1=CC(=CC(=C1)F)OC2=CN=C(S2)N
InChI
InChI=1S/C9H7FN2OS/c10-6-2-1-3-7(4-6)13-8-5-12-9(11)14-8/h1-5H,(H2,11,12)
InChIKey
XKWLIVVPPVCZPT-UHFFFAOYSA-N
Compound name
5-(3-fluorophenoxy)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

210.0263 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03358 139.1
[M+Na]+ 233.01552 149.5
[M-H]- 209.01902 143.9
[M+NH4]+ 228.06012 158.8
[M+K]+ 248.98946 145.5
[M+H-H2O]+ 193.02356 131.5
[M+HCOO]- 255.02450 159.3
[M+CH3COO]- 269.04015 152.8
[M+Na-2H]- 231.00097 141.7
[M]+ 210.02575 139.7
[M]- 210.02685 139.7
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

patents stripe