CID 2736421

175278-14-5

Structural Information

Molecular Formula

C₇H₃BrClF₃O₃S

SMILES

C1=CC(=C(C=C1Br)OC(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H

InChIKey

ZZCIRIWJHAZTIW-UHFFFAOYSA-N

Compound name

4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 253
Patents: 337.8627 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]+	338.86998	157.1
[M+Na]+	360.85192	158.2
[M+NH4]+	355.89652	159.3
[M+K]+	376.82586	158.0
[M-H]-	336.85542	152.3
[M+Na-2H]-	358.83737	157.9
[M]+	337.86215	155.3
[M]-	337.86325	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe