CID 16778519

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

Structural Information

Molecular Formula
C10H8F2N2S
SMILES
C1=CC(=C(C=C1CC2=CN=C(S2)N)F)F
InChI
InChI=1S/C10H8F2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)
InChIKey
HVSCSXQMDYDCSA-UHFFFAOYSA-N
Compound name
5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.03763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.044906 142.2
[M+Na]+ 249.026848 153.2
[M-H]- 225.030354 145.8
[M+NH4]+ 244.071453 161.6
[M+K]+ 265.000788 148.0
[M+H-H2O]+ 209.034890 133.9
[M+HCOO]- 271.035831 160.7
[M+CH3COO]- 285.051481 155.5
[M+Na-2H]- 247.012296 143.0
[M]+ 226.03708142 141.1
[M]- 226.03817858 141.1
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