CID 164989

Diisopropyl phosphorochloridate

Structural Information

Molecular Formula

C₆H₁₄ClO₃P

SMILES

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

InChI

InChI=1S/C6H14ClO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

InChIKey

GUFGWNUUDBGEGH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 368
Patents: 200.03691 Da
Monoisotopic Mass: 1.4
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]+	201.04419	140.8
[M+Na]+	223.02613	148.9
[M-H]-	199.02963	140.6
[M+NH4]+	218.07073	161.9
[M+K]+	239.00007	148.3
[M+H-H2O]+	183.03417	135.7
[M+HCOO]-	245.03511	162.9
[M+CH3COO]-	259.05076	185.0
[M+Na-2H]-	221.01158	142.7
[M]+	200.03636	147.8
[M]-	200.03746	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe