CID 60698584

1-iodo-3-(2-methoxyethoxy)benzene

Structural Information

Molecular Formula
C9H11IO2
SMILES
COCCOC1=CC(=CC=C1)I
InChI
InChI=1S/C9H11IO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
InChIKey
TWTFETDTUZVJND-UHFFFAOYSA-N
Compound name
1-iodo-3-(2-methoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

277.98038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98766 146.0
[M+Na]+ 300.96960 146.8
[M-H]- 276.97310 142.5
[M+NH4]+ 296.01420 161.5
[M+K]+ 316.94354 151.4
[M+H-H2O]+ 260.97764 136.4
[M+HCOO]- 322.97858 165.4
[M+CH3COO]- 336.99423 188.0
[M+Na-2H]- 298.95505 140.5
[M]+ 277.97983 146.4
[M]- 277.98093 146.4
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