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

289
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 142.6
[M+Na]+ 284.97469 142.6
[M-H]- 260.97819 138.8
[M+NH4]+ 280.01929 158.5
[M+K]+ 300.94863 146.8
[M+H-H2O]+ 244.98273 133.1
[M+HCOO]- 306.98367 161.8
[M+CH3COO]- 320.99932 185.1
[M+Na-2H]- 282.96014 137.9
[M]+ 261.98492 141.3
[M]- 261.98602 141.3
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