CID 45121650

1891208-44-8

Structural Information

Molecular Formula

C₄H₄F₂N₂S

SMILES

C1=C(N=C(S1)N)C(F)F

InChI

InChI=1S/C4H4F2N2S/c5-3(6)2-1-9-4(7)8-2/h1,3H,(H2,7,8)

InChIKey

IEBXYRIXXPDVQO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 150.00633 Da
Monoisotopic Mass: 1.3
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]+	151.01361	122.2
[M+Na]+	172.99555	131.9
[M-H]-	148.99905	122.3
[M+NH4]+	168.04015	144.1
[M+K]+	188.96949	129.7
[M+H-H2O]+	133.00359	114.7
[M+HCOO]-	195.00453	139.7
[M+CH3COO]-	209.02018	174.4
[M+Na-2H]-	170.98100	123.6
[M]+	150.00578	119.6
[M]-	150.00688	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe