CID 120359

730-00-7

Structural Information

Molecular Formula
C9H11ClNO6P
SMILES
COP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11ClNO6P/c1-15-18(14,16-7-6-10)17-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
InChIKey
MKEOIQDVBCDXNB-UHFFFAOYSA-N
Compound name
2-chloroethyl methyl (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.00125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00853 155.0
[M+Na]+ 317.99047 166.7
[M+NH4]+ 313.03507 160.9
[M+K]+ 333.96441 165.0
[M-H]- 293.99397 155.6
[M+Na-2H]- 315.97592 159.7
[M]+ 295.00070 156.8
[M]- 295.00180 156.8
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.