CID 674091

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

Structural Information

Molecular Formula
C10H8F2N2S
SMILES
CC1=C(N=C(S1)N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H8F2N2S/c1-5-9(14-10(13)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14)
InChIKey
UCSZOFSNFUSPSQ-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.03763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.044906 142.4
[M+Na]+ 249.026848 154.2
[M-H]- 225.030354 146.3
[M+NH4]+ 244.071453 162.0
[M+K]+ 265.000788 149.0
[M+H-H2O]+ 209.034890 134.3
[M+HCOO]- 271.035831 160.8
[M+CH3COO]- 285.051481 155.9
[M+Na-2H]- 247.012296 142.4
[M]+ 226.03708142 141.6
[M]- 226.03817858 141.6
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