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

6
Patents

267.9152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92248 134.2
[M+Na]+ 290.90442 137.6
[M-H]- 266.90792 131.4
[M+NH4]+ 285.94902 151.4
[M+K]+ 306.87836 140.4
[M+H-H2O]+ 250.91246 126.4
[M+HCOO]- 312.91340 149.9
[M+CH3COO]- 326.92905 185.1
[M+Na-2H]- 288.88987 129.3
[M]+ 267.91465 134.9
[M]- 267.91575 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