CID 86604

17671-69-1

Structural Information

Molecular Formula
C12H14Cl4NO6P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCC(CCl)Cl)OCC(CCl)Cl
InChI
InChI=1S/C12H14Cl4NO6P/c13-5-9(15)7-21-24(20,22-8-10(16)6-14)23-12-3-1-11(2-4-12)17(18)19/h1-4,9-10H,5-8H2
InChIKey
LZDNNILVAOSABM-UHFFFAOYSA-N
Compound name
bis(2,3-dichloropropyl) (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.93127 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.93855 183.8
[M+Na]+ 461.92049 188.7
[M-H]- 437.92399 183.4
[M+NH4]+ 456.96509 194.2
[M+K]+ 477.89443 181.9
[M+H-H2O]+ 421.92853 183.6
[M+HCOO]- 483.92947 190.7
[M+CH3COO]- 497.94512 216.2
[M+Na-2H]- 459.90594 184.6
[M]+ 438.93072 191.1
[M]- 438.93182 191.1
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.