CID 11493830

Benzene, 4-iodo-2-methoxy-1-(phenylmethoxy)-

Structural Information

Molecular Formula
C14H13IO2
SMILES
COC1=C(C=CC(=C1)I)OCC2=CC=CC=C2
InChI
InChI=1S/C14H13IO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
PSTUEMRFRHUISK-UHFFFAOYSA-N
Compound name
4-iodo-2-methoxy-1-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.99603 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00331 161.5
[M+Na]+ 362.98525 162.3
[M-H]- 338.98875 160.7
[M+NH4]+ 358.02985 174.3
[M+K]+ 378.95919 165.1
[M+H-H2O]+ 322.99329 150.2
[M+HCOO]- 384.99423 180.6
[M+CH3COO]- 399.00988 199.1
[M+Na-2H]- 360.97070 155.3
[M]+ 339.99548 161.2
[M]- 339.99658 161.2
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