CID 625356

1,8-dibromonaphthalene

Structural Information

Molecular Formula
C10H6Br2
SMILES
C1=CC2=C(C(=C1)Br)C(=CC=C2)Br
InChI
InChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKey
DLXBGTIGAIESIG-UHFFFAOYSA-N
Compound name
1,8-dibromonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

679
Patents

283.88364 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.89092 138.2
[M+Na]+ 306.87286 150.0
[M-H]- 282.87636 146.1
[M+NH4]+ 301.91746 159.0
[M+K]+ 322.84680 134.9
[M+H-H2O]+ 266.88090 147.3
[M+HCOO]- 328.88184 154.6
[M+CH3COO]- 342.89749 153.2
[M+Na-2H]- 304.85831 147.6
[M]+ 283.88309 172.1
[M]- 283.88419 172.1
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