CID 47173105

1292932-97-8

Structural Information

Molecular Formula

C₁₄H₁₂INO₂

SMILES

C1=CC(=CC(=C1)C(=O)N)COC2=CC=C(C=C2)I

InChI

InChI=1S/C14H12INO2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17)

InChIKey

HGQMTKJJDPWXSQ-UHFFFAOYSA-N

Compound name

3-[(4-iodophenoxy)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 352.99127 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.99855	168.6
[M+Na]+	375.98049	168.5
[M-H]-	351.98399	167.4
[M+NH4]+	371.02509	180.1
[M+K]+	391.95443	170.8
[M+H-H2O]+	335.98853	157.0
[M+HCOO]-	397.98947	187.1
[M+CH3COO]-	412.00512	203.2
[M+Na-2H]-	373.96594	160.3
[M]+	352.99072	165.4
[M]-	352.99182	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe