CID 118868806

3-(difluoromethyl)cyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClF₂O₂S

SMILES

C1C(CC1S(=O)(=O)Cl)C(F)F

InChI

InChI=1S/C5H7ClF2O2S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-5H,1-2H2

InChIKey

LJWLEMAUXSPGTL-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)cyclobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 203.98233 Da
Monoisotopic Mass: 2.1
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]+	204.98961	127.0
[M+Na]+	226.97155	134.3
[M-H]-	202.97505	128.2
[M+NH4]+	222.01615	140.7
[M+K]+	242.94549	134.1
[M+H-H2O]+	186.97959	116.4
[M+HCOO]-	248.98053	135.9
[M+CH3COO]-	262.99618	183.2
[M+Na-2H]-	224.95700	128.6
[M]+	203.98178	135.7
[M]-	203.98288	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe