CID 127890

108607-97-2

Structural Information

Molecular Formula
C3H6FI
SMILES
C(C[18F])CI
InChI
InChI=1S/C3H6FI/c4-2-1-3-5/h1-3H2/i4-1
InChIKey
URBUZQPPQLQHBZ-NUTRPMROSA-N
Compound name
1-(18F)fluoranyl-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

186.95236 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.95964 119.9
[M+Na]+ 209.94158 121.1
[M-H]- 185.94508 112.6
[M+NH4]+ 204.98618 139.0
[M+K]+ 225.91552 126.9
[M+H-H2O]+ 169.94962 111.7
[M+HCOO]- 231.95056 138.3
[M+CH3COO]- 245.96621 173.4
[M+Na-2H]- 207.92703 115.5
[M]+ 186.95181 116.6
[M]- 186.95291 116.6
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