CID 15941366

(2-chloro-5-iodophenyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C13H7ClFIO
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)I)Cl)F
InChI
InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H
InChIKey
KNYGUQLVFSPVRI-UHFFFAOYSA-N
Compound name
(2-chloro-5-iodophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

359.92142 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.92870 155.0
[M+Na]+ 382.91064 158.2
[M-H]- 358.91414 153.5
[M+NH4]+ 377.95524 168.2
[M+K]+ 398.88458 158.5
[M+H-H2O]+ 342.91868 144.5
[M+HCOO]- 404.91962 168.5
[M+CH3COO]- 418.93527 201.5
[M+Na-2H]- 380.89609 147.4
[M]+ 359.92087 153.6
[M]- 359.92197 153.6
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