CID 145730

5,6-dichloroacenaphthene

Structural Information

Molecular Formula
C12H8Cl2
SMILES
C1CC2=CC=C(C3=C(C=CC1=C23)Cl)Cl
InChI
InChI=1S/C12H8Cl2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3-6H,1-2H2
InChIKey
QQTNONSQLWTQPU-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

222.0003 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.007576 146.0
[M+Na]+ 244.989518 158.0
[M-H]- 220.993024 150.5
[M+NH4]+ 240.034123 170.3
[M+K]+ 260.963458 151.0
[M+H-H2O]+ 204.997560 142.2
[M+HCOO]- 266.998501 158.9
[M+CH3COO]- 281.014151 159.9
[M+Na-2H]- 242.974966 151.8
[M]+ 221.99975142 150.0
[M]- 222.00084858 150.0
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