CID 13322054

77797-64-9

Structural Information

Molecular Formula

C₇H₃Cl₂F₃O₃S

SMILES

C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)OC(F)(F)F

InChI

InChI=1S/C7H3Cl2F3O3S/c8-4-1-2-5(15-7(10,11)12)6(3-4)16(9,13)14/h1-3H

InChIKey

GEYCYNVQARGUJJ-UHFFFAOYSA-N

Compound name

5-chloro-2-(trifluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 293.9132 Da
Monoisotopic Mass: 3.8
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]+	294.92048	155.2
[M+Na]+	316.90242	164.6
[M+NH4]+	311.94702	160.3
[M+K]+	332.87636	158.5
[M-H]-	292.90592	150.8
[M+Na-2H]-	314.88787	158.4
[M]+	293.91265	155.9
[M]-	293.91375	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe