CID 198381

Formylfenitrooxon

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02678 152.5
[M+Na]+ 298.00872 160.1
[M-H]- 274.01222 155.9
[M+NH4]+ 293.05332 168.4
[M+K]+ 313.98266 156.5
[M+H-H2O]+ 258.01676 148.8
[M+HCOO]- 320.01770 183.1
[M+CH3COO]- 334.03335 190.4
[M+Na-2H]- 295.99417 159.9
[M]+ 275.01895 158.4
[M]- 275.02005 158.4
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.