CID 6734

Acenaphthene

Structural Information

Molecular Formula
C12H10
SMILES
C1CC2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
InChIKey
CWRYPZZKDGJXCA-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

324
References

35401
Patents

154.07825 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08553 129.8
[M+Na]+ 177.06747 138.7
[M-H]- 153.07097 134.8
[M+NH4]+ 172.11207 155.2
[M+K]+ 193.04141 134.8
[M+H-H2O]+ 137.07551 124.5
[M+HCOO]- 199.07645 152.7
[M+CH3COO]- 213.09210 144.4
[M+Na-2H]- 175.05292 138.7
[M]+ 154.07770 129.9
[M]- 154.07880 129.9
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.