CID 2777427

17754-05-1

Structural Information

Molecular Formula

C₇H₃F₃N₂S

SMILES

C1=CC2=NSN=C2C=C1C(F)(F)F

InChI

InChI=1S/C7H3F3N2S/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H

InChIKey

KUFWKXPZEWUROO-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-2,1,3-benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.9969 Da
Monoisotopic Mass: 2.7
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]+	205.00418	138.7
[M+Na]+	226.98612	149.1
[M+NH4]+	222.03072	145.5
[M+K]+	242.96006	143.4
[M-H]-	202.98962	135.7
[M+Na-2H]-	224.97157	143.4
[M]+	203.99635	139.6
[M]-	203.99745	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe