CID 13354581

37016-54-9

Structural Information

Molecular Formula

C₅H₁₂ClOP

SMILES

CCP(=O)(CC)CCl

InChI

InChI=1S/C5H12ClOP/c1-3-8(7,4-2)5-6/h3-5H2,1-2H3

InChIKey

GETIAASJCRSGDZ-UHFFFAOYSA-N

Compound name

1-[chloromethyl(ethyl)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.03143 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]+	155.03871	132.2
[M+Na]+	177.02065	141.2
[M-H]-	153.02415	131.8
[M+NH4]+	172.06525	155.3
[M+K]+	192.99459	139.0
[M+H-H2O]+	137.02869	127.3
[M+HCOO]-	199.02963	155.9
[M+CH3COO]-	213.04528	176.5
[M+Na-2H]-	175.00610	136.5
[M]+	154.03088	137.0
[M]-	154.03198	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe