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 198.7
[M+Na]+ 411.09948 201.1
[M-H]- 387.10298 210.3
[M+NH4]+ 406.14408 207.8
[M+K]+ 427.07342 187.9
[M+H-H2O]+ 371.10752 193.3
[M+HCOO]- 433.10846 225.1
[M+CH3COO]- 447.12411 207.0
[M+Na-2H]- 409.08493 204.5
[M]+ 388.10971 195.7
[M]- 388.11081 195.7
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