CID 633286

1,8-diiodonaphthalene

Structural Information

Molecular Formula
C10H6I2
SMILES
C1=CC2=C(C(=C1)I)C(=CC=C2)I
InChI
InChI=1S/C10H6I2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKey
FURHMGVKKGEGMZ-UHFFFAOYSA-N
Compound name
1,8-diiodonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

144
Patents

379.8559 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.86318 141.2
[M+Na]+ 402.84512 135.8
[M-H]- 378.84862 133.3
[M+NH4]+ 397.88972 151.6
[M+K]+ 418.81906 144.4
[M+H-H2O]+ 362.85316 129.6
[M+HCOO]- 424.85410 153.0
[M+CH3COO]- 438.86975 202.9
[M+Na-2H]- 400.83057 131.8
[M]+ 379.85535 136.2
[M]- 379.85645 136.2
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