CID 13322055

77797-65-0

Structural Information

Molecular Formula

C₇H₃Cl₂F₃O₃S

SMILES

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

InChI

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

InChIKey

JGKVFWNIQYMJCN-UHFFFAOYSA-N

Compound name

2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	145.9
[M+Na]+	316.90242	157.9
[M-H]-	292.90592	146.6
[M+NH4]+	311.94702	163.5
[M+K]+	332.87636	152.4
[M+H-H2O]+	276.91046	140.4
[M+HCOO]-	338.91140	151.3
[M+CH3COO]-	352.92705	192.6
[M+Na-2H]-	314.88787	149.8
[M]+	293.91265	149.3
[M]-	293.91375	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe