CID 12673

677-43-0

Structural Information

Molecular Formula

C₂H₆Cl₂NOP

SMILES

CN(C)P(=O)(Cl)Cl

InChI

InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3

InChIKey

YNHXBEVSSILHPI-UHFFFAOYSA-N

Compound name

N-dichlorophosphoryl-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 401
Patents: 160.9564 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]+	161.96368	126.1
[M+Na]+	183.94562	136.0
[M-H]-	159.94912	127.1
[M+NH4]+	178.99022	149.4
[M+K]+	199.91956	133.9
[M+H-H2O]+	143.95366	121.9
[M+HCOO]-	205.95460	147.2
[M+CH3COO]-	219.97025	180.4
[M+Na-2H]-	181.93107	130.9
[M]+	160.95585	131.0
[M]-	160.95695	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe