CID 5936

Diisopropyl fluorophosphate

Structural Information

Molecular Formula

C₆H₁₄FO₃P

SMILES

CC(C)OP(=O)(OC(C)C)F

InChI

InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

InChIKey

MUCZHBLJLSDCSD-UHFFFAOYSA-N

Compound name

2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 3620
References: 19935
Patents: 184.06645 Da
Monoisotopic Mass: 1.2
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]+	185.073726	140.3
[M+Na]+	207.055668	147.5
[M-H]-	183.059174	138.4
[M+NH4]+	202.100273	161.0
[M+K]+	223.029608	148.7
[M+H-H2O]+	167.063710	133.1
[M+HCOO]-	229.064651	165.7
[M+CH3COO]-	243.080301	183.9
[M+Na-2H]-	205.041116	141.6
[M]+	184.06590142	144.1
[M]-	184.06699858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe