CID 3039449

Dimethyl 2,5-dimethyl-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C10H14NO6P
SMILES
CC1=CC(=C(C=C1OP(=O)(OC)OC)C)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-7-6-10(17-18(14,15-3)16-4)8(2)5-9(7)11(12)13/h5-6H,1-4H3
InChIKey
NXCVUTZACTWJAT-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-4-nitrophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05588 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06316 154.6
[M+Na]+ 298.04510 166.0
[M+NH4]+ 293.08970 160.1
[M+K]+ 314.01904 165.3
[M-H]- 274.04860 155.2
[M+Na-2H]- 296.03055 158.4
[M]+ 275.05533 156.1
[M]- 275.05643 156.1
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.