CID 379010

Nsc662776

Structural Information

Molecular Formula
C22H23N2O3P
SMILES
CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H23N2O3P/c1-2-3-4-5-6-13-18-27-22(25)21(24-23)28(26,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-5,18H2,1H3
InChIKey
UHTKGZIQTSOTIA-UHFFFAOYSA-N
Compound name
oct-2-ynyl 2-diazo-2-diphenylphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14462 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15190 204.4
[M+Na]+ 417.13384 209.0
[M-H]- 393.13734 207.1
[M+NH4]+ 412.17844 213.2
[M+K]+ 433.10778 197.9
[M+H-H2O]+ 377.14188 191.1
[M+HCOO]- 439.14282 225.8
[M+CH3COO]- 453.15847 221.9
[M+Na-2H]- 415.11929 204.5
[M]+ 394.14407 198.2
[M]- 394.14517 198.2
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

No patent data available for this compound.