CID 113277

63468-52-0

Structural Information

Molecular Formula

C₁₀H₇Cl₂O₄P

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(Cl)Cl

InChI

InChI=1S/C10H7Cl2O4P/c1-6-4-10(13)15-9-5-7(2-3-8(6)9)16-17(11,12)14/h2-5H,1H3

InChIKey

CYQREIUSSMENNJ-UHFFFAOYSA-N

Compound name

7-dichlorophosphoryloxy-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 291.9459 Da
Monoisotopic Mass: 3.1
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]+	292.95318	153.4
[M+Na]+	314.93512	166.1
[M-H]-	290.93862	158.4
[M+NH4]+	309.97972	171.3
[M+K]+	330.90906	162.6
[M+H-H2O]+	274.94316	147.4
[M+HCOO]-	336.94410	171.7
[M+CH3COO]-	350.95975	197.6
[M+Na-2H]-	312.92057	159.3
[M]+	291.94535	162.7
[M]-	291.94645	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe