CID 200355

Phosphoric acid, dimethyl p-nitrobenzyl ester

Structural Information

Molecular Formula
C9H12NO6P
SMILES
COP(=O)(OC)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO6P/c1-14-17(13,15-2)16-7-8-3-5-9(6-4-8)10(11)12/h3-6H,7H2,1-2H3
InChIKey
CEWQCMRRUPXVRJ-UHFFFAOYSA-N
Compound name
dimethyl (4-nitrophenyl)methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04022 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04750 152.6
[M+Na]+ 284.02944 159.3
[M-H]- 260.03294 155.7
[M+NH4]+ 279.07404 169.0
[M+K]+ 300.00338 155.7
[M+H-H2O]+ 244.03748 148.8
[M+HCOO]- 306.03842 182.9
[M+CH3COO]- 320.05407 188.2
[M+Na-2H]- 282.01489 160.1
[M]+ 261.03967 157.5
[M]- 261.04077 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.