CID 3387134

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

Structural Information

Molecular Formula
C10H9FN2S
SMILES
C1=CC(=CC(=C1)F)CC2=CN=C(S2)N
InChI
InChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKey
TZTVOZBUYKWEMJ-UHFFFAOYSA-N
Compound name
5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

208.04704 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05432 140.1
[M+Na]+ 231.03626 150.3
[M-H]- 207.03976 144.8
[M+NH4]+ 226.08086 160.0
[M+K]+ 247.01020 145.6
[M+H-H2O]+ 191.04430 132.5
[M+HCOO]- 253.04524 159.7
[M+CH3COO]- 267.06089 153.6
[M+Na-2H]- 229.02171 142.1
[M]+ 208.04649 139.6
[M]- 208.04759 139.6
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

patents stripe