CID 12539861

2-(fluorosulfonyl)difluoroacetyl chloride

Structural Information

Molecular Formula

C₂ClF₃O₃S

SMILES

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

InChI

InChI=1S/C2ClF3O3S/c3-1(7)2(4,5)10(6,8)9

InChIKey

IQOOSURRNAYCJV-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-fluorosulfonylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.92088 Da
Monoisotopic Mass: 1.5
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]+	196.92816	123.5
[M+Na]+	218.91010	134.0
[M-H]-	194.91360	121.1
[M+NH4]+	213.95470	143.9
[M+K]+	234.88404	131.2
[M+H-H2O]+	178.91814	118.4
[M+HCOO]-	240.91908	132.8
[M+CH3COO]-	254.93473	175.9
[M+Na-2H]-	216.89555	127.8
[M]+	195.92033	124.0
[M]-	195.92143	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe