CID 10355314

1-benzyloxy-2-iodoethane

Structural Information

Molecular Formula
C9H11IO
SMILES
C1=CC=C(C=C1)COCCI
InChI
InChI=1S/C9H11IO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
NYACRWGQRUIHSO-UHFFFAOYSA-N
Compound name
2-iodoethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

261.98547 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 140.2
[M+Na]+ 284.97469 145.7
[M+NH4]+ 280.01929 145.2
[M+K]+ 300.94863 141.5
[M-H]- 260.97819 136.7
[M+Na-2H]- 282.96014 135.5
[M]+ 261.98492 138.9
[M]- 261.98602 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe