CID 43431841

5-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H11FN2S
SMILES
CC1=C(SC(=N1)N)CC2=CC(=CC=C2)F
InChI
InChI=1S/C11H11FN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKey
YXCGPFIAEVMHEW-UHFFFAOYSA-N
Compound name
5-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

222.0627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06998 146.9
[M+Na]+ 245.05192 159.2
[M+NH4]+ 240.09652 155.7
[M+K]+ 261.02586 151.9
[M-H]- 221.05542 150.1
[M+Na-2H]- 243.03737 153.9
[M]+ 222.06215 150.0
[M]- 222.06325 150.0
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