CID 119003797

1-chloro-3-iodo-2-methoxybenzene

Structural Information

Molecular Formula
C7H6ClIO
SMILES
COC1=C(C=CC=C1I)Cl
InChI
InChI=1S/C7H6ClIO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKey
OOEJMUOZUDREAD-UHFFFAOYSA-N
Compound name
1-chloro-3-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe