CID 85828235

4-(trifluoromethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₇H₄F₄O₂S

SMILES

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)F

InChI

InChI=1S/C7H4F4O2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H

InChIKey

XSYRFOBVQLQWCO-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.98682 Da
Monoisotopic Mass: 3.3
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]+	228.99410	153.3
[M+Na]+	250.97604	160.7
[M+NH4]+	246.02064	157.7
[M+K]+	266.94998	155.0
[M-H]-	226.97954	148.1
[M+Na-2H]-	248.96149	155.7
[M]+	227.98627	153.0
[M]-	227.98737	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe