CID 53328834

1246224-43-0

Structural Information

Molecular Formula
C8H4FI
SMILES
C1=CC(=CC=C1C#CI)F
InChI
InChI=1S/C8H4FI/c9-8-3-1-7(2-4-8)5-6-10/h1-4H
InChIKey
MAAFUPAVUGONCD-UHFFFAOYSA-N
Compound name
1-fluoro-4-(2-iodoethynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.93417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.941446 131.2
[M+Na]+ 268.923388 135.9
[M-H]- 244.926894 126.2
[M+NH4]+ 263.967993 146.1
[M+K]+ 284.897328 136.8
[M+H-H2O]+ 228.931430 116.6
[M+HCOO]- 290.932371 144.8
[M+CH3COO]- 304.948021 189.9
[M+Na-2H]- 266.908836 126.6
[M]+ 245.93362142 122.3
[M]- 245.93471858 122.3
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