CID 85761

14663-72-0

Structural Information

Molecular Formula
C12H16Cl2NO6P
SMILES
CC(COP(=O)(OCC(C)Cl)OC1=CC=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H16Cl2NO6P/c1-9(13)7-19-22(18,20-8-10(2)14)21-12-5-3-11(4-6-12)15(16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKey
LUKRJGLWDCRJHZ-UHFFFAOYSA-N
Compound name
bis(2-chloropropyl) (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.00922 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.01650 174.5
[M+Na]+ 393.99844 180.3
[M-H]- 370.00194 176.7
[M+NH4]+ 389.04304 187.9
[M+K]+ 409.97238 174.1
[M+H-H2O]+ 354.00648 172.8
[M+HCOO]- 416.00742 192.6
[M+CH3COO]- 430.02307 206.6
[M+Na-2H]- 391.98389 177.5
[M]+ 371.00867 182.7
[M]- 371.00977 182.7
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.