CID 3039

Dichlorvos

Structural Information

Molecular Formula

C₄H₇Cl₂O₄P

SMILES

COP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

InChIKey

OEBRKCOSUFCWJD-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1392
References: 43440
Patents: 219.9459 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]+	220.95318	135.9
[M+Na]+	242.93512	145.8
[M-H]-	218.93862	135.6
[M+NH4]+	237.97972	156.6
[M+K]+	258.90906	143.4
[M+H-H2O]+	202.94316	131.9
[M+HCOO]-	264.94410	155.1
[M+CH3COO]-	278.95975	183.3
[M+Na-2H]-	240.92057	139.9
[M]+	219.94535	144.2
[M]-	219.94645	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe