CID 84581

14663-71-9

Structural Information

Molecular Formula
C12H16Cl2NO6P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCCCCl)OCCCCl
InChI
InChI=1S/C12H16Cl2NO6P/c13-7-1-9-19-22(18,20-10-2-8-14)21-12-5-3-11(4-6-12)15(16)17/h3-6H,1-2,7-10H2
InChIKey
GNBHORGCHRXVMA-UHFFFAOYSA-N
Compound name
bis(3-chloropropyl) (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.00922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.01650 177.3
[M+Na]+ 393.99844 183.5
[M-H]- 370.00194 179.2
[M+NH4]+ 389.04304 190.7
[M+K]+ 409.97238 176.2
[M+H-H2O]+ 354.00648 174.9
[M+HCOO]- 416.00742 197.0
[M+CH3COO]- 430.02307 205.3
[M+Na-2H]- 391.98389 182.2
[M]+ 371.00867 186.5
[M]- 371.00977 186.5
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.