CID 145983

Chlorosoman

Structural Information

Molecular Formula

C₇H₁₆ClO₂P

SMILES

CC(C(C)(C)C)OP(=O)(C)Cl

InChI

InChI=1S/C7H16ClO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3

InChIKey

XVNBZVNXJMOQEX-UHFFFAOYSA-N

Compound name

3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 79
Patents: 198.05765 Da
Monoisotopic Mass: 2.4
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]+	199.06493	143.0
[M+Na]+	221.04687	152.6
[M+NH4]+	216.09147	150.0
[M+K]+	237.02081	148.8
[M-H]-	197.05037	140.5
[M+Na-2H]-	219.03232	145.5
[M]+	198.05710	143.8
[M]-	198.05820	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe