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]+ 282.938126 139.2
[M+Na]+ 304.920068 142.2
[M-H]- 280.923574 136.2
[M+NH4]+ 299.964673 155.8
[M+K]+ 320.894008 144.8
[M+H-H2O]+ 264.928110 131.2
[M+HCOO]- 326.929051 154.6
[M+CH3COO]- 340.944701 188.0
[M+Na-2H]- 302.905516 133.8
[M]+ 281.93030142 140.2
[M]- 281.93139858 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.