CID 165453295

[1-(cyanomethyl)cyclopropyl]methanesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₈FNO₂S

SMILES

C1CC1(CC#N)CS(=O)(=O)F

InChI

InChI=1S/C6H8FNO2S/c7-11(9,10)5-6(1-2-6)3-4-8/h1-3,5H2

InChIKey

XWCUZDDATWZTGJ-UHFFFAOYSA-N

Compound name

[1-(cyanomethyl)cyclopropyl]methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.02597 Da
Monoisotopic Mass: 0.4
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]+	178.033246	133.2
[M+Na]+	200.015188	149.2
[M-H]-	176.018694	139.3
[M+NH4]+	195.059793	151.0
[M+K]+	215.989128	144.5
[M+H-H2O]+	160.023230	124.6
[M+HCOO]-	222.024171	148.9
[M+CH3COO]-	236.039821	191.3
[M+Na-2H]-	198.000636	140.3
[M]+	177.02542142	134.6
[M]-	177.02651858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.