CID 9143

Acephenanthrylene

Structural Information

Molecular Formula
C16H10
SMILES
C1=CC=C2C(=C1)C=C3C=CC4=C3C2=CC=C4
InChI
InChI=1S/C16H10/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-10H
InChIKey
SQFPKRNUGBRTAR-UHFFFAOYSA-N
Compound name
acephenanthrylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11446
Patents

202.07825 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.085526 141.0
[M+Na]+ 225.067468 152.5
[M-H]- 201.070974 147.8
[M+NH4]+ 220.112073 165.6
[M+K]+ 241.041408 146.5
[M+H-H2O]+ 185.075510 134.9
[M+HCOO]- 247.076451 165.1
[M+CH3COO]- 261.092101 155.9
[M+Na-2H]- 223.052916 151.7
[M]+ 202.07770142 144.4
[M]- 202.07879858 144.4
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