CID 34327

Dihydropyrene

Structural Information

Molecular Formula
C16H12
SMILES
C1CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
InChI
InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1,3-5,7-10H,2,6H2
InChIKey
UUSUFQUCLACDTA-UHFFFAOYSA-N
Compound name
1,2-dihydropyrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

8776
Patents

204.0939 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.101176 141.6
[M+Na]+ 227.083118 150.7
[M-H]- 203.086624 146.7
[M+NH4]+ 222.127723 164.2
[M+K]+ 243.057058 145.1
[M+H-H2O]+ 187.091160 134.4
[M+HCOO]- 249.092101 161.8
[M+CH3COO]- 263.107751 155.0
[M+Na-2H]- 225.068566 153.6
[M]+ 204.09335142 142.9
[M]- 204.09444858 142.9
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