CID 16792013

760936-33-2

Structural Information

Molecular Formula

C₁₀H₈F₂N₂OS

SMILES

C1=CC=C(C(=C1)C2=CSC(=N2)N)OC(F)F

InChI

InChI=1S/C10H8F2N2OS/c11-9(12)15-8-4-2-1-3-6(8)7-5-16-10(13)14-7/h1-5,9H,(H2,13,14)

InChIKey

AOQXJXJNVGKOTO-UHFFFAOYSA-N

Compound name

4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.03255 Da
Monoisotopic Mass: 3.2
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]+	243.039826	146.2
[M+Na]+	265.021768	155.7
[M-H]-	241.025274	149.5
[M+NH4]+	260.066373	164.4
[M+K]+	280.995708	151.6
[M+H-H2O]+	225.029810	137.5
[M+HCOO]-	287.030751	163.9
[M+CH3COO]-	301.046401	191.0
[M+Na-2H]-	263.007216	146.7
[M]+	242.03200142	145.5
[M]-	242.03309858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.