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
3
Annotation Hits

22764
References

83398
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 138.0
[M+Na]+ 241.98249 148.4
[M+NH4]+ 237.02709 143.4
[M+K]+ 257.95643 148.8
[M-H]- 217.98599 137.6
[M+Na-2H]- 239.96794 142.0
[M]+ 218.99272 138.8
[M]- 218.99382 138.8
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

patents stripe