CID 64505

Cyclosarin

Structural Information

Molecular Formula

C₇H₁₄FO₂P

SMILES

CP(=O)(OC1CCCCC1)F

InChI

InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

SNTRKUOVAPUGAY-UHFFFAOYSA-N

Compound name

[fluoro(methyl)phosphoryl]oxycyclohexane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 238
References: 1606
Patents: 180.07155 Da
Monoisotopic Mass: 1.8
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]+	181.07883	139.2
[M+Na]+	203.06077	144.5
[M-H]-	179.06427	139.5
[M+NH4]+	198.10537	159.5
[M+K]+	219.03471	144.0
[M+H-H2O]+	163.06881	131.0
[M+HCOO]-	225.06975	163.2
[M+CH3COO]-	239.08540	179.6
[M+Na-2H]-	201.04622	141.7
[M]+	180.07100	136.2
[M]-	180.07210	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe