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]+ 227.04491 146.9
[M+Na]+ 249.02685 158.4
[M+NH4]+ 244.07145 154.8
[M+K]+ 265.00079 151.7
[M-H]- 225.03035 148.5
[M+Na-2H]- 247.01230 152.8
[M]+ 226.03708 149.3
[M]- 226.03818 149.3
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