CID 706326

175135-32-7

Structural Information

Molecular Formula

C₉H₆F₂N₂S

SMILES

C1=CC(=C(C=C1C2=CSC(=N2)N)F)F

InChI

InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)

InChIKey

NDCSJUJQMRFHEX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 116
Patents: 212.02197 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.02925	141.7
[M+Na]+	235.01119	153.0
[M+NH4]+	230.05579	149.7
[M+K]+	250.98513	146.4
[M-H]-	211.01469	143.2
[M+Na-2H]-	232.99664	148.1
[M]+	212.02142	143.9
[M]-	212.02252	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe