CID 226547

Tris(2-nitrophenyl) phosphate

Structural Information

Molecular Formula
C18H12N3O10P
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OP(=O)(OC2=CC=CC=C2[N+](=O)[O-])OC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H12N3O10P/c22-19(23)13-7-1-4-10-16(13)29-32(28,30-17-11-5-2-8-14(17)20(24)25)31-18-12-6-3-9-15(18)21(26)27/h1-12H
InChIKey
LASOLDQRFPFANT-UHFFFAOYSA-N
Compound name
tris(2-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2854
Patents

461.02603 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.03331 196.7
[M+Na]+ 484.01525 199.7
[M-H]- 460.01875 195.9
[M+NH4]+ 479.05985 200.8
[M+K]+ 499.98919 184.0
[M+H-H2O]+ 444.02329 196.0
[M+HCOO]- 506.02423 217.8
[M+CH3COO]- 520.03988 213.4
[M+Na-2H]- 482.00070 208.7
[M]+ 461.02548 180.0
[M]- 461.02658 180.0
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