CID 3039447

3,5-dichloro-4-nitrophenyl dimethyl phosphate

Structural Information

Molecular Formula
C8H8Cl2NO6P
SMILES
COP(=O)(OC)OC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H8Cl2NO6P/c1-15-18(14,16-2)17-5-3-6(9)8(11(12)13)7(10)4-5/h3-4H,1-2H3
InChIKey
YZJQOSRXGKRNLK-UHFFFAOYSA-N
Compound name
(3,5-dichloro-4-nitrophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.94662 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.95390 156.1
[M+Na]+ 337.93584 165.7
[M-H]- 313.93934 159.4
[M+NH4]+ 332.98044 172.3
[M+K]+ 353.90978 159.6
[M+H-H2O]+ 297.94388 155.3
[M+HCOO]- 359.94482 177.2
[M+CH3COO]- 373.96047 195.8
[M+Na-2H]- 335.92129 162.1
[M]+ 314.94607 164.6
[M]- 314.94717 164.6
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.