CID 121552848

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

Structural Information

Molecular Formula
C8H6FIO
SMILES
CC(=O)C1=CC(=C(C=C1)F)I
InChI
InChI=1S/C8H6FIO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
HALREDJRXQMTIU-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.94473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95201 134.8
[M+Na]+ 286.93395 137.2
[M-H]- 262.93745 130.8
[M+NH4]+ 281.97855 151.1
[M+K]+ 302.90789 141.1
[M+H-H2O]+ 246.94199 125.3
[M+HCOO]- 308.94293 152.8
[M+CH3COO]- 322.95858 186.8
[M+Na-2H]- 284.91940 128.1
[M]+ 263.94418 131.7
[M]- 263.94528 131.7
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

No patent data available for this compound.