CID 512121

83877-26-3

Structural Information

Molecular Formula
C9H10NO7P
SMILES
COP(=O)(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C9H10NO7P/c1-15-18(14,16-2)9(11)17-8-5-3-7(4-6-8)10(12)13/h3-6H,1-2H3
InChIKey
LENOEKSPZDHTDQ-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) dimethoxyphosphorylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

275.0195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02678 152.7
[M+Na]+ 298.00872 159.3
[M-H]- 274.01222 155.8
[M+NH4]+ 293.05332 168.3
[M+K]+ 313.98266 156.2
[M+H-H2O]+ 258.01676 148.9
[M+HCOO]- 320.01770 182.4
[M+CH3COO]- 334.03335 189.2
[M+Na-2H]- 295.99417 159.5
[M]+ 275.01895 157.5
[M]- 275.02005 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe