CID 257901

Bis(4-iodophenyl)methanone

Structural Information

Molecular Formula
C13H8I2O
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)I)I
InChI
InChI=1S/C13H8I2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
HFRHPJJBHNBGBD-UHFFFAOYSA-N
Compound name
bis(4-iodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

433.86646 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.87374 162.8
[M+Na]+ 456.85568 156.1
[M-H]- 432.85918 156.3
[M+NH4]+ 451.90028 170.0
[M+K]+ 472.82962 164.4
[M+H-H2O]+ 416.86372 149.8
[M+HCOO]- 478.86466 174.2
[M+CH3COO]- 492.88031 210.1
[M+Na-2H]- 454.84113 149.8
[M]+ 433.86591 157.4
[M]- 433.86701 157.4
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