CID 7004

1-iodonaphthalene

Structural Information

Molecular Formula
C10H7I
SMILES
C1=CC=C2C(=C1)C=CC=C2I
InChI
InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
NHPPIJMARIVBGU-UHFFFAOYSA-N
Compound name
1-iodonaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

3512
Patents

253.95924 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96652 131.5
[M+Na]+ 276.94846 133.5
[M-H]- 252.95196 129.1
[M+NH4]+ 271.99306 149.0
[M+K]+ 292.92240 136.3
[M+H-H2O]+ 236.95650 122.4
[M+HCOO]- 298.95744 150.4
[M+CH3COO]- 312.97309 141.9
[M+Na-2H]- 274.93391 129.6
[M]+ 253.95869 128.5
[M]- 253.95979 128.5
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