CID 28941924

350684-65-0

Structural Information

Molecular Formula

C₈H₄F₂N₂O₂S

SMILES

C1=C2C(=CC3=C1OC(O3)(F)F)SC(=N2)N

InChI

InChI=1S/C8H4F2N2O2S/c9-8(10)13-4-1-3-6(2-5(4)14-8)15-7(11)12-3/h1-2H,(H2,11,12)

InChIKey

HJFWUSQQWRARDW-UHFFFAOYSA-N

Compound name

2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.99615 Da
Monoisotopic Mass: 2.6
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]+	231.00343	137.2
[M+Na]+	252.98537	151.6
[M-H]-	228.98887	141.6
[M+NH4]+	248.02997	160.0
[M+K]+	268.95931	150.0
[M+H-H2O]+	212.99341	132.2
[M+HCOO]-	274.99435	154.4
[M+CH3COO]-	289.01000	152.3
[M+Na-2H]-	250.97082	143.2
[M]+	229.99560	141.4
[M]-	229.99670	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe