CID 67750

Fluorotabun

Structural Information

Molecular Formula

C₄H₁₁FNO₂P

SMILES

CCOP(=O)(N(C)C)F

InChI

InChI=1S/C4H11FNO2P/c1-4-8-9(5,7)6(2)3/h4H2,1-3H3

InChIKey

JYXIMOLVBWANAH-UHFFFAOYSA-N

Compound name

N-[ethoxy(fluoro)phosphoryl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 155.05115 Da
Monoisotopic Mass: 0.6
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]+	156.05843	131.4
[M+Na]+	178.04037	139.1
[M-H]-	154.04387	131.1
[M+NH4]+	173.08497	153.6
[M+K]+	194.01431	140.7
[M+H-H2O]+	138.04841	123.8
[M+HCOO]-	200.04935	160.6
[M+CH3COO]-	214.06500	182.5
[M+Na-2H]-	176.02582	135.5
[M]+	155.05060	134.6
[M]-	155.05170	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe