CID 20416

4394-77-8

Structural Information

Molecular Formula
C14H15Cl2O6P
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C14H15Cl2O6P/c1-10-8-14(17)21-13-9-11(2-3-12(10)13)22-23(18,19-6-4-15)20-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKey
JIRVRDYVMCZPLS-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.99832 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.00560 176.6
[M+Na]+ 402.98754 187.1
[M-H]- 378.99104 181.0
[M+NH4]+ 398.03214 190.8
[M+K]+ 418.96148 184.3
[M+H-H2O]+ 362.99558 169.3
[M+HCOO]- 424.99652 194.0
[M+CH3COO]- 439.01217 213.6
[M+Na-2H]- 400.97299 181.1
[M]+ 379.99777 190.1
[M]- 379.99887 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.