CID 16228107

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

Structural Information

Molecular Formula
C10H8F2N2S
SMILES
C1=CC(=C(C=C1F)F)CC2=CN=C(S2)N
InChI
InChI=1S/C10H8F2N2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKey
XXQAHJQHKJCMSF-UHFFFAOYSA-N
Compound name
5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

226.03763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04491 146.0
[M+Na]+ 249.02685 157.1
[M+NH4]+ 244.07145 153.8
[M+K]+ 265.00079 150.3
[M-H]- 225.03035 147.5
[M+Na-2H]- 247.01230 152.2
[M]+ 226.03708 148.2
[M]- 226.03818 148.2
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