CID 86811458

1446478-70-1

Structural Information

Molecular Formula

C₇H₃ClF₄O₃S

SMILES

C1=CC(=C(C=C1OC(F)(F)F)S(=O)(=O)Cl)F

InChI

InChI=1S/C7H3ClF4O3S/c8-16(13,14)6-3-4(1-2-5(6)9)15-7(10,11)12/h1-3H

InChIKey

OPJNWSWWIAWEAH-UHFFFAOYSA-N

Compound name

2-fluoro-5-(trifluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.94275 Da
Monoisotopic Mass: 3.2
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]+	278.950026	143.7
[M+Na]+	300.931968	155.6
[M-H]-	276.935474	143.4
[M+NH4]+	295.976573	161.4
[M+K]+	316.905908	150.9
[M+H-H2O]+	260.940010	136.3
[M+HCOO]-	322.940951	152.9
[M+CH3COO]-	336.956601	190.8
[M+Na-2H]-	298.917416	147.6
[M]+	277.94220142	144.9
[M]-	277.94329858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe