CID 56934684

1-(3-fluorophenyl)-2-iodoethan-1-one

Structural Information

Molecular Formula
C8H6FIO
SMILES
C1=CC(=CC(=C1)F)C(=O)CI
InChI
InChI=1S/C8H6FIO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2
InChIKey
IFNFZBDMDMQSRH-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2-iodoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

263.94473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95201 136.5
[M+Na]+ 286.93395 137.9
[M-H]- 262.93745 132.0
[M+NH4]+ 281.97855 152.4
[M+K]+ 302.90789 141.7
[M+H-H2O]+ 246.94199 126.6
[M+HCOO]- 308.94293 154.3
[M+CH3COO]- 322.95858 185.8
[M+Na-2H]- 284.91940 130.2
[M]+ 263.94418 132.9
[M]- 263.94528 132.9
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