CID 6438716

Crotylsarin

Structural Information

Molecular Formula

C₅H₁₀FO₂P

SMILES

C/C=C/COP(=O)(C)F

InChI

InChI=1S/C5H10FO2P/c1-3-4-5-8-9(2,6)7/h3-4H,5H2,1-2H3/b4-3+

InChIKey

CSVWTPQEXJLYLO-ONEGZZNKSA-N

Compound name

(E)-1-[fluoro(methyl)phosphoryl]oxybut-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4
Patents: 152.04024 Da
Monoisotopic Mass: 0.8
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]+	153.04752	131.6
[M+Na]+	175.02946	140.0
[M-H]-	151.03296	129.8
[M+NH4]+	170.07406	153.7
[M+K]+	191.00340	139.5
[M+H-H2O]+	135.03750	124.7
[M+HCOO]-	197.03844	159.2
[M+CH3COO]-	211.05409	175.6
[M+Na-2H]-	173.01491	135.7
[M]+	152.03969	134.1
[M]-	152.04079	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe