CID 15475546

3-fluoro-4-iodoaniline

Structural Information

Molecular Formula
C6H5FIN
SMILES
C1=CC(=C(C=C1N)F)I
InChI
InChI=1S/C6H5FIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey
KUVVJHBHRIXJKI-UHFFFAOYSA-N
Compound name
3-fluoro-4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

195
Patents

236.94507 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95235 132.5
[M+Na]+ 259.93429 137.3
[M+NH4]+ 254.97889 137.0
[M+K]+ 275.90823 134.2
[M-H]- 235.93779 128.2
[M+Na-2H]- 257.91974 127.0
[M]+ 236.94452 130.8
[M]- 236.94562 130.8
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