CID 258812

96694-60-9

Structural Information

Molecular Formula
C8H8ClIO2
SMILES
COC1=CC(=C(C=C1Cl)I)OC
InChI
InChI=1S/C8H8ClIO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
InChIKey
VLAQQNJVQSMILH-UHFFFAOYSA-N
Compound name
1-chloro-5-iodo-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.92575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.93303 142.2
[M+Na]+ 320.91497 146.0
[M-H]- 296.91847 139.6
[M+NH4]+ 315.95957 158.5
[M+K]+ 336.88891 149.1
[M+H-H2O]+ 280.92301 134.2
[M+HCOO]- 342.92395 157.8
[M+CH3COO]- 356.93960 190.9
[M+Na-2H]- 318.90042 136.1
[M]+ 297.92520 145.0
[M]- 297.92630 145.0
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.