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 155.7
[M+Na]+ 298.04510 163.9
[M-H]- 274.04860 159.4
[M+NH4]+ 293.08970 172.3
[M+K]+ 314.01904 160.1
[M+H-H2O]+ 258.05314 152.4
[M+HCOO]- 320.05408 185.7
[M+CH3COO]- 334.06973 193.6
[M+Na-2H]- 296.03055 161.7
[M]+ 275.05533 161.8
[M]- 275.05643 161.8
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.