CID 2774512

5-fluoro-2-iodoaniline

Structural Information

Molecular Formula
C6H5FIN
SMILES
C1=CC(=C(C=C1F)N)I
InChI
InChI=1S/C6H5FIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
UCPDOOZBROQHME-UHFFFAOYSA-N
Compound name
5-fluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

216
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 131.9
[M+Na]+ 259.93429 134.2
[M-H]- 235.93779 127.6
[M+NH4]+ 254.97889 148.8
[M+K]+ 275.90823 137.8
[M+H-H2O]+ 219.94233 122.3
[M+HCOO]- 281.94327 151.3
[M+CH3COO]- 295.95892 183.1
[M+Na-2H]- 257.91974 126.2
[M]+ 236.94452 126.3
[M]- 236.94562 126.3
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