CID 130977081

2,2-difluorocyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₃ClF₂O₂S

SMILES

C1C(C1(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C3H3ClF2O2S/c4-9(7,8)2-1-3(2,5)6/h2H,1H2

InChIKey

QXEHPDCUUOQBIX-UHFFFAOYSA-N

Compound name

2,2-difluorocyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 175.95103 Da
Monoisotopic Mass: 1.3
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]+	176.95831	118.2
[M+Na]+	198.94025	130.4
[M-H]-	174.94375	121.1
[M+NH4]+	193.98485	136.6
[M+K]+	214.91419	127.2
[M+H-H2O]+	158.94829	113.7
[M+HCOO]-	220.94923	130.4
[M+CH3COO]-	234.96488	176.7
[M+Na-2H]-	196.92570	124.1
[M]+	175.95048	122.5
[M]-	175.95158	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe