CID 6422053

3-iodobenzophenone

Structural Information

Molecular Formula
C13H9IO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C13H9IO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
JAFDVXCJWWEVND-UHFFFAOYSA-N
Compound name
(3-iodophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

307.96982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.97710 150.8
[M+Na]+ 330.95904 151.3
[M-H]- 306.96254 150.0
[M+NH4]+ 326.00364 164.5
[M+K]+ 346.93298 153.7
[M+H-H2O]+ 290.96708 140.1
[M+HCOO]- 352.96802 169.4
[M+CH3COO]- 366.98367 193.3
[M+Na-2H]- 328.94449 145.0
[M]+ 307.96927 147.3
[M]- 307.97037 147.3
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