CID 182098

9-ethynylphenanthrene

Structural Information

Molecular Formula
C16H10
SMILES
C#CC1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
InChIKey
FMKVRRYQWWPOAL-UHFFFAOYSA-N
Compound name
9-ethynylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

136
Patents

202.07825 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08553 149.9
[M+Na]+ 225.06747 163.6
[M-H]- 201.07097 153.6
[M+NH4]+ 220.11207 169.0
[M+K]+ 241.04141 153.5
[M+H-H2O]+ 185.07551 137.8
[M+HCOO]- 247.07645 167.4
[M+CH3COO]- 261.09210 161.9
[M+Na-2H]- 223.05292 158.0
[M]+ 202.07770 145.5
[M]- 202.07880 145.5
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.