CID 3020107

1-(4-amino-3-fluoro-5-iodophenyl)ethan-1-one

Structural Information

Molecular Formula
C8H7FINO
SMILES
CC(=O)C1=CC(=C(C(=C1)I)N)F
InChI
InChI=1S/C8H7FINO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
InChIKey
ISEGOHPEBBPFPY-UHFFFAOYSA-N
Compound name
1-(4-amino-3-fluoro-5-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

278.95563 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.96291 143.4
[M+Na]+ 301.94485 145.7
[M-H]- 277.94835 139.2
[M+NH4]+ 296.98945 158.7
[M+K]+ 317.91879 149.2
[M+H-H2O]+ 261.95289 133.5
[M+HCOO]- 323.95383 161.5
[M+CH3COO]- 337.96948 191.9
[M+Na-2H]- 299.93030 134.7
[M]+ 278.95508 138.8
[M]- 278.95618 138.8
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