CID 92134830

4-(chloromethyl)-1-iodo-2-methoxybenzene

Structural Information

Molecular Formula
C8H8ClIO
SMILES
COC1=C(C=CC(=C1)CCl)I
InChI
InChI=1S/C8H8ClIO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKey
IRPPLBPZZAVNCN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.93085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93813 139.2
[M+Na]+ 304.92007 142.2
[M-H]- 280.92357 136.2
[M+NH4]+ 299.96467 155.8
[M+K]+ 320.89401 144.8
[M+H-H2O]+ 264.92811 131.2
[M+HCOO]- 326.92905 154.6
[M+CH3COO]- 340.94470 188.0
[M+Na-2H]- 302.90552 133.8
[M]+ 281.93030 140.2
[M]- 281.93140 140.2
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

No patent data available for this compound.