CID 29068158

N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H13FN2S
SMILES
C1CSC(=N1)NCCC2=CC=CC=C2F
InChI
InChI=1S/C11H13FN2S/c12-10-4-2-1-3-9(10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14)
InChIKey
RSKQQIZQZYSYSZ-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08563 145.7
[M+Na]+ 247.06757 153.5
[M-H]- 223.07107 149.9
[M+NH4]+ 242.11217 164.9
[M+K]+ 263.04151 149.3
[M+H-H2O]+ 207.07561 137.6
[M+HCOO]- 269.07655 164.2
[M+CH3COO]- 283.09220 158.1
[M+Na-2H]- 245.05302 147.9
[M]+ 224.07780 144.7
[M]- 224.07890 144.7
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.