CID 55263297

1314964-82-3

Structural Information

Molecular Formula

C₄H₆ClFO₂S

SMILES

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

InChI

InChI=1S/C4H6ClFO2S/c5-9(7,8)4-1-3(6)2-4/h3-4H,1-2H2

InChIKey

QGNOSMXTLHWVHM-UHFFFAOYSA-N

Compound name

3-fluorocyclobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 171.9761 Da
Monoisotopic Mass: 1.4
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]+	172.98338	119.2
[M+Na]+	194.96532	127.3
[M-H]-	170.96882	121.9
[M+NH4]+	190.00992	134.4
[M+K]+	210.93926	127.3
[M+H-H2O]+	154.97336	109.8
[M+HCOO]-	216.97430	130.5
[M+CH3COO]-	230.98995	176.9
[M+Na-2H]-	192.95077	123.0
[M]+	171.97555	129.3
[M]-	171.97665	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe