CID 74923

5-bromoacenaphthene

Structural Information

Molecular Formula
C12H9Br
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)Br
InChI
InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey
QALKJGMGKYKMKE-UHFFFAOYSA-N
Compound name
5-bromo-1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

231.98875 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99603 146.6
[M+Na]+ 254.97797 159.4
[M-H]- 230.98147 154.4
[M+NH4]+ 250.02257 172.5
[M+K]+ 270.95191 147.8
[M+H-H2O]+ 214.98601 147.8
[M+HCOO]- 276.98695 167.0
[M+CH3COO]- 291.00260 162.4
[M+Na-2H]- 252.96342 155.1
[M]+ 231.98820 165.5
[M]- 231.98930 165.5
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