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: 80
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	143.6
[M+Na]+	221.04687	152.0
[M-H]-	197.05037	143.5
[M+NH4]+	216.09147	165.0
[M+K]+	237.02081	150.6
[M+H-H2O]+	181.05491	138.9
[M+HCOO]-	243.05585	164.5
[M+CH3COO]-	257.07150	185.0
[M+Na-2H]-	219.03232	146.9
[M]+	198.05710	149.4
[M]-	198.05820	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe