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 142.2
[M+Na]+ 249.02685 153.2
[M-H]- 225.03035 145.8
[M+NH4]+ 244.07145 161.6
[M+K]+ 265.00079 148.0
[M+H-H2O]+ 209.03489 133.9
[M+HCOO]- 271.03583 160.7
[M+CH3COO]- 285.05148 155.5
[M+Na-2H]- 247.01230 143.0
[M]+ 226.03708 141.1
[M]- 226.03818 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