CID 67044154

2,2,2-trifluoro-1-(3-iodophenyl)ethan-1-one

Structural Information

Molecular Formula
C8H4F3IO
SMILES
C1=CC(=CC(=C1)I)C(=O)C(F)(F)F
InChI
InChI=1S/C8H4F3IO/c9-8(10,11)7(13)5-2-1-3-6(12)4-5/h1-4H
InChIKey
SRNKHCYJNSITRM-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

299.9259 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.93318 141.0
[M+Na]+ 322.91512 143.0
[M-H]- 298.91862 134.3
[M+NH4]+ 317.95972 155.6
[M+K]+ 338.88906 146.4
[M+H-H2O]+ 282.92316 129.9
[M+HCOO]- 344.92410 155.4
[M+CH3COO]- 358.93975 190.7
[M+Na-2H]- 320.90057 134.3
[M]+ 299.92535 134.7
[M]- 299.92645 134.7
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