CID 165565479

2792185-78-3

Structural Information

Molecular Formula

C₅H₁₀FNO₂S

SMILES

C1CC1(CN)CS(=O)(=O)F

InChI

InChI=1S/C5H10FNO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-4,7H2

InChIKey

VFIJCYLWKPDYCJ-UHFFFAOYSA-N

Compound name

[1-(aminomethyl)cyclopropyl]methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.04163 Da
Monoisotopic Mass: -0.2
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]+	168.04891	127.2
[M+Na]+	190.03085	136.8
[M-H]-	166.03435	130.3
[M+NH4]+	185.07545	144.5
[M+K]+	206.00479	134.5
[M+H-H2O]+	150.03889	122.0
[M+HCOO]-	212.03983	144.5
[M+CH3COO]-	226.05548	178.9
[M+Na-2H]-	188.01630	132.9
[M]+	167.04108	129.8
[M]-	167.04218	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.