CID 118263

1,3-cyclopentanedisulfonyl difluoride

Structural Information

Molecular Formula

C₅H₈F₂O₄S₂

SMILES

C1CC(CC1S(=O)(=O)F)S(=O)(=O)F

InChI

InChI=1S/C5H8F2O4S2/c6-12(8,9)4-1-2-5(3-4)13(7,10)11/h4-5H,1-3H2

InChIKey

AEBJPMMMKMMACK-UHFFFAOYSA-N

Compound name

cyclopentane-1,3-disulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.9832 Da
Monoisotopic Mass: 1.0
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]+	234.99048	144.0
[M+Na]+	256.97242	153.1
[M-H]-	232.97592	144.9
[M+NH4]+	252.01702	163.9
[M+K]+	272.94636	150.0
[M+H-H2O]+	216.98046	138.4
[M+HCOO]-	278.98140	153.2
[M+CH3COO]-	292.99705	181.0
[M+Na-2H]-	254.95787	145.0
[M]+	233.98265	143.6
[M]-	233.98375	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe