CID 2779190

4-aminophenylsulfur pentafluoride

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1N)S(F)(F)(F)(F)F

InChI

InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2

InChIKey

MZGZUHNSMNNSRJ-UHFFFAOYSA-N

Compound name

4-(pentafluoro-lambda6-sulfanyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 622
Patents: 219.01411 Da
Monoisotopic Mass: 4.5
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]+	220.02139	141.5
[M+Na]+	242.00333	148.0
[M+NH4]+	237.04793	146.1
[M+K]+	257.97727	142.2
[M-H]-	218.00683	137.6
[M+Na-2H]-	239.98878	144.3
[M]+	219.01356	141.2
[M]-	219.01466	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe