CID 378

4-nitrophenyl phosphate

Structural Information

Molecular Formula
C6H6NO6P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
InChI
InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
InChIKey
XZKIHKMTEMTJQX-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22739
References

82003
Patents

218.99327 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00055 138.3
[M+Na]+ 241.98249 145.4
[M-H]- 217.98599 139.0
[M+NH4]+ 237.02709 154.9
[M+K]+ 257.95643 140.6
[M+H-H2O]+ 201.99053 135.6
[M+HCOO]- 263.99147 166.6
[M+CH3COO]- 278.00712 173.6
[M+Na-2H]- 239.96794 146.4
[M]+ 218.99272 138.3
[M]- 218.99382 138.3
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.