CID 11587088

161949-50-4

Structural Information

Molecular Formula
C7H6ClIO
SMILES
COC1=C(C=CC(=C1)I)Cl
InChI
InChI=1S/C7H6ClIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKey
JFOAEMJHYWJFHL-UHFFFAOYSA-N
Compound name
1-chloro-4-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

267.9152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.922476 134.2
[M+Na]+ 290.904418 137.6
[M-H]- 266.907924 131.4
[M+NH4]+ 285.949023 151.4
[M+K]+ 306.878358 140.4
[M+H-H2O]+ 250.912460 126.4
[M+HCOO]- 312.913401 149.9
[M+CH3COO]- 326.929051 185.1
[M+Na-2H]- 288.889866 129.3
[M]+ 267.91465142 134.9
[M]- 267.91574858 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe