CID 498137

6933-17-1

Structural Information

Molecular Formula
C25H20NO2P
SMILES
C1=CC=C(C=C1)P(=CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20NO2P/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H
InChIKey
UTCLFSRETSUVTL-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methylidene-triphenyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

397.12317 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.13045 197.2
[M+Na]+ 420.11239 199.8
[M-H]- 396.11589 207.4
[M+NH4]+ 415.15699 205.8
[M+K]+ 436.08633 189.0
[M+H-H2O]+ 380.12043 187.9
[M+HCOO]- 442.12137 223.9
[M+CH3COO]- 456.13702 215.6
[M+Na-2H]- 418.09784 201.2
[M]+ 397.12262 192.6
[M]- 397.12372 192.6
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