CID 131316551

1-(difluoromethyl)cyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₅ClF₂O₂S

SMILES

C1CC1(C(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C4H5ClF2O2S/c5-10(8,9)4(1-2-4)3(6)7/h3H,1-2H2

InChIKey

WKZCWQUDXJVKCQ-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)cyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 189.96669 Da
Monoisotopic Mass: 1.6
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]+	190.973966	122.1
[M+Na]+	212.955908	132.9
[M-H]-	188.959414	124.7
[M+NH4]+	208.000513	139.8
[M+K]+	228.929848	130.0
[M+H-H2O]+	172.963950	117.4
[M+HCOO]-	234.964891	133.2
[M+CH3COO]-	248.980541	179.2
[M+Na-2H]-	210.941356	127.2
[M]+	189.96614142	126.0
[M]-	189.96723858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe