CID 2775994

715-60-6

Structural Information

Molecular Formula

C₇H₃F₅N₂S

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)NC(=S)N

InChI

InChI=1S/C7H3F5N2S/c8-1-2(9)4(11)6(14-7(13)15)5(12)3(1)10/h(H3,13,14,15)

InChIKey

YKRHDLIKBWNPJI-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 241.99371 Da
Monoisotopic Mass: 1.7
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]+	243.00099	139.0
[M+Na]+	264.98293	150.1
[M-H]-	240.98643	136.9
[M+NH4]+	260.02753	156.8
[M+K]+	280.95687	144.7
[M+H-H2O]+	224.99097	129.0
[M+HCOO]-	286.99191	153.6
[M+CH3COO]-	301.00756	197.4
[M+Na-2H]-	262.96838	137.1
[M]+	241.99316	132.4
[M]-	241.99426	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe