CID 2780037

53811-43-1

Structural Information

Molecular Formula
C23H19NO3P
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(O2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19NO3P/c25-24(26)23-17-16-19(27-23)18-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18H2/q+1
InChIKey
VUXSYHJGTZAPRR-UHFFFAOYSA-N
Compound name
(5-nitrofuran-2-yl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.11026 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11754 189.6
[M+Na]+ 411.09948 207.5
[M+NH4]+ 406.14408 199.1
[M+K]+ 427.07342 203.6
[M-H]- 387.10298 201.9
[M+Na-2H]- 409.08493 202.5
[M]+ 388.10971 196.2
[M]- 388.11081 196.2
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

patents stripe