CID 218562

Brn 1868302

Structural Information

Molecular Formula

C₄H₇Br₂O₄P

SMILES

COP(=O)(OC)OC=C(Br)Br

InChI

InChI=1S/C4H7Br2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

InChIKey

QMTLGQJLVKFGCV-UHFFFAOYSA-N

Compound name

2,2-dibromoethenyl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 307.84488 Da
Monoisotopic Mass: 1.6
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]+	308.85216	155.6
[M+Na]+	330.83410	166.5
[M-H]-	306.83760	158.9
[M+NH4]+	325.87870	174.6
[M+K]+	346.80804	151.7
[M+H-H2O]+	290.84214	161.4
[M+HCOO]-	352.84308	174.3
[M+CH3COO]-	366.85873	202.5
[M+Na-2H]-	328.81955	159.7
[M]+	307.84433	192.6
[M]-	307.84543	192.6

Literature stripe

literature stripe

Patent stripe

patents stripe