CID 53289

1,2,4,6,7-pentabromonaphthalene

Structural Information

Molecular Formula
C10H3Br5
SMILES
C1=C2C(=CC(=C1Br)Br)C(=C(C=C2Br)Br)Br
InChI
InChI=1S/C10H3Br5/c11-6-3-9(14)10(15)5-2-8(13)7(12)1-4(5)6/h1-3H
InChIKey
BZPSOPFSQYNUQX-UHFFFAOYSA-N
Compound name
1,2,4,6,7-pentabromonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.6152 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.62248 162.0
[M+Na]+ 540.60442 169.3
[M-H]- 516.60792 165.9
[M+NH4]+ 535.64902 169.7
[M+K]+ 556.57836 158.6
[M+H-H2O]+ 500.61246 179.8
[M+HCOO]- 562.61340 165.6
[M+CH3COO]- 576.62905 167.1
[M+Na-2H]- 538.58987 162.8
[M]+ 517.61465 192.7
[M]- 517.61575 192.7
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

No patent data available for this compound.