CID 11410744

878111-16-1

Structural Information

Molecular Formula
C32H19N2O8P
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)[N+](=O)[O-])OP(=O)(O3)O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI
InChI=1S/C32H19N2O8P/c35-33(36)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(20-11-15-24(16-12-20)34(37)38)32(30)42-43(39,40)41-31(27)29/h1-18H,(H,39,40)
InChIKey
ZAVIDRFWCFHRJK-UHFFFAOYSA-N
Compound name
13-hydroxy-10,16-bis(4-nitrophenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

590.0879 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.09518 251.3
[M+Na]+ 613.07712 267.8
[M+NH4]+ 608.12172 258.0
[M+K]+ 629.05106 261.5
[M-H]- 589.08062 262.6
[M+Na-2H]- 611.06257 256.5
[M]+ 590.08735 257.2
[M]- 590.08845 257.2
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