CID 29934881

914225-70-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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

literature stripe

Patent stripe

patents stripe