CID 373284

Nsc649434

Structural Information

Molecular Formula
C16H14N2O
SMILES
C#CCCCCC#CC1=CC=CC=C1C(=O)C=[N+]=[N-]
InChI
InChI=1S/C16H14N2O/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)16(19)13-18-17/h1,8-9,11-13H,3-6H2
InChIKey
NORICHGVOPQTSI-UHFFFAOYSA-N
Compound name
2-diazo-1-(2-octa-1,7-diynylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 178.0
[M+Na]+ 273.09983 186.6
[M-H]- 249.10333 180.0
[M+NH4]+ 268.14443 188.6
[M+K]+ 289.07377 177.2
[M+H-H2O]+ 233.10787 165.6
[M+HCOO]- 295.10881 188.8
[M+CH3COO]- 309.12446 216.1
[M+Na-2H]- 271.08528 177.9
[M]+ 250.11006 168.0
[M]- 250.11116 168.0
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.