CID 22500053

313681-67-3

Structural Information

Molecular Formula

C₇H₃ClF₂O₄S

SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)OC(O2)(F)F

InChI

InChI=1S/C7H3ClF2O4S/c8-15(11,12)4-1-2-5-6(3-4)14-7(9,10)13-5/h1-3H

InChIKey

SRKKEBOPDXVTLV-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 255.94086 Da
Monoisotopic Mass: 2.5
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]+	256.94814	140.5
[M+Na]+	278.93008	153.6
[M-H]-	254.93358	145.2
[M+NH4]+	273.97468	161.6
[M+K]+	294.90402	152.1
[M+H-H2O]+	238.93812	136.9
[M+HCOO]-	300.93906	151.4
[M+CH3COO]-	314.95471	185.2
[M+Na-2H]-	276.91553	148.2
[M]+	255.94031	146.3
[M]-	255.94141	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe