CID 67227118

1228781-84-7

Structural Information

Molecular Formula

C₇H₄ClF₃O₂S

SMILES

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

InChI

InChI=1S/C7H4ClF3O2S/c8-7(10,11)14(12,13)6-4-2-1-3-5(6)9/h1-4H

InChIKey

VPNVIICBRVNXKW-UHFFFAOYSA-N

Compound name

1-[chloro(difluoro)methyl]sulfonyl-2-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 243.95726 Da
Monoisotopic Mass: 2.7
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]+	244.96454	149.3
[M+Na]+	266.94648	158.6
[M+NH4]+	261.99108	155.0
[M+K]+	282.92042	152.2
[M-H]-	242.94998	145.4
[M+Na-2H]-	264.93193	153.1
[M]+	243.95671	150.0
[M]-	243.95781	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe