CID 3053255

Dimethyl 3-ethyl-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C10H14NO6P
SMILES
CCC1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-4-8-7-9(5-6-10(8)11(12)13)17-18(14,15-2)16-3/h5-7H,4H2,1-3H3
InChIKey
YLUBADVYIDRHNX-UHFFFAOYSA-N
Compound name
(3-ethyl-4-nitrophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.05588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06316 156.7
[M+Na]+ 298.04510 164.0
[M-H]- 274.04860 160.0
[M+NH4]+ 293.08970 172.9
[M+K]+ 314.01904 160.1
[M+H-H2O]+ 258.05314 153.1
[M+HCOO]- 320.05408 186.7
[M+CH3COO]- 334.06973 192.4
[M+Na-2H]- 296.03055 163.2
[M]+ 275.05533 162.4
[M]- 275.05643 162.4
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

No patent data available for this compound.