CID 50987518

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

Structural Information

Molecular Formula
C12H13FN2S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(C)N
InChI
InChI=1S/C12H13FN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3
InChIKey
SRQCMMRUSQIPLF-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07835 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08563 149.7
[M+Na]+ 259.06757 159.5
[M-H]- 235.07107 154.5
[M+NH4]+ 254.11217 168.7
[M+K]+ 275.04151 154.8
[M+H-H2O]+ 219.07561 142.1
[M+HCOO]- 281.07655 167.5
[M+CH3COO]- 295.09220 193.4
[M+Na-2H]- 257.05302 148.9
[M]+ 236.07780 149.7
[M]- 236.07890 149.7
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.