CID 120362

731-04-4

Structural Information

Molecular Formula
C10H13ClNO6P
SMILES
CCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H13ClNO6P/c1-2-16-19(15,17-8-7-11)18-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
InChIKey
ODBQBWQEBSSZER-UHFFFAOYSA-N
Compound name
2-chloroethyl ethyl (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0169 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02418 162.7
[M+Na]+ 332.00612 169.5
[M-H]- 308.00962 165.5
[M+NH4]+ 327.05072 178.1
[M+K]+ 347.98006 163.9
[M+H-H2O]+ 292.01416 159.8
[M+HCOO]- 354.01510 188.2
[M+CH3COO]- 368.03075 195.0
[M+Na-2H]- 329.99157 169.3
[M]+ 309.01635 170.0
[M]- 309.01745 170.0
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.