CID 12476051

1-fluoro-4-iodonaphthalene

Structural Information

Molecular Formula
C10H6FI
SMILES
C1=CC=C2C(=C1)C(=CC=C2I)F
InChI
InChI=1S/C10H6FI/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
BKXQUMOQBPPDMT-UHFFFAOYSA-N
Compound name
1-fluoro-4-iodonaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

271.94983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95711 132.9
[M+Na]+ 294.93905 135.9
[M-H]- 270.94255 129.5
[M+NH4]+ 289.98365 150.0
[M+K]+ 310.91299 138.2
[M+H-H2O]+ 254.94709 123.1
[M+HCOO]- 316.94803 150.8
[M+CH3COO]- 330.96368 143.1
[M+Na-2H]- 292.92450 129.9
[M]+ 271.94928 129.2
[M]- 271.95038 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe