CID 58557426

3,3-difluorocyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₅ClF₂O₂S

SMILES

C1C(CC1(F)F)S(=O)(=O)Cl

InChI

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

InChIKey

QXYNIWCYMQIZBV-UHFFFAOYSA-N

Compound name

3,3-difluorocyclobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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]+	190.97397	121.7
[M+Na]+	212.95591	130.5
[M-H]-	188.95941	123.3
[M+NH4]+	208.00051	138.0
[M+K]+	228.92985	130.2
[M+H-H2O]+	172.96395	112.8
[M+HCOO]-	234.96489	132.0
[M+CH3COO]-	248.98054	179.1
[M+Na-2H]-	210.94136	126.4
[M]+	189.96614	131.0
[M]-	189.96724	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe