CID 12347526

1-bromo-8-iodonaphthalene

Structural Information

Molecular Formula
C10H6BrI
SMILES
C1=CC2=C(C(=C1)Br)C(=CC=C2)I
InChI
InChI=1S/C10H6BrI/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKey
XNDLRPFISURYTA-UHFFFAOYSA-N
Compound name
1-bromo-8-iodonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

331.86975 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.87703 144.0
[M+Na]+ 354.85897 149.9
[M-H]- 330.86247 144.5
[M+NH4]+ 349.90357 162.2
[M+K]+ 370.83291 144.5
[M+H-H2O]+ 314.86701 141.0
[M+HCOO]- 376.86795 160.6
[M+CH3COO]- 390.88360 155.7
[M+Na-2H]- 352.84442 142.6
[M]+ 331.86920 158.9
[M]- 331.87030 158.9
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