CID 50918

2,3,6,7-tetrabromonaphthalene

Structural Information

Molecular Formula
C10H4Br4
SMILES
C1=C2C=C(C(=CC2=CC(=C1Br)Br)Br)Br
InChI
InChI=1S/C10H4Br4/c11-7-1-5-2-9(13)10(14)4-6(5)3-8(7)12/h1-4H
InChIKey
ZWEYMNHQUMTRGY-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrabromonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

439.70465 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.71193 147.3
[M+Na]+ 462.69387 154.0
[M-H]- 438.69737 152.0
[M+NH4]+ 457.73847 158.3
[M+K]+ 478.66781 141.7
[M+H-H2O]+ 422.70191 166.2
[M+HCOO]- 484.70285 153.3
[M+CH3COO]- 498.71850 155.5
[M+Na-2H]- 460.67932 151.0
[M]+ 439.70410 186.1
[M]- 439.70520 186.1
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