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 157.6
[M+Na]+ 317.99047 165.0
[M-H]- 293.99397 160.6
[M+NH4]+ 313.03507 173.6
[M+K]+ 333.96441 159.6
[M+H-H2O]+ 277.99851 155.0
[M+HCOO]- 339.99945 183.5
[M+CH3COO]- 354.01510 192.0
[M+Na-2H]- 315.97592 164.8
[M]+ 295.00070 164.7
[M]- 295.00180 164.7
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.