CID 65566

Ethylsarin

Structural Information

Molecular Formula

C₅H₁₂FO₂P

SMILES

CCP(=O)(OC(C)C)F

InChI

InChI=1S/C5H12FO2P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3

InChIKey

KXKAXOZWSFAJTG-UHFFFAOYSA-N

Compound name

2-[ethyl(fluoro)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 64
Patents: 154.0559 Da
Monoisotopic Mass: 1.1
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]+	155.06318	133.2
[M+Na]+	177.04512	141.0
[M-H]-	153.04862	131.4
[M+NH4]+	172.08972	155.1
[M+K]+	193.01906	141.5
[M+H-H2O]+	137.05316	126.2
[M+HCOO]-	199.05410	159.5
[M+CH3COO]-	213.06975	178.1
[M+Na-2H]-	175.03057	136.0
[M]+	154.05535	135.7
[M]-	154.05645	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe