CID 13647

2,3,4,6-tetrachloroanisole

Structural Information

Molecular Formula
C7H4Cl4O
SMILES
COC1=C(C(=C(C=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
InChIKey
ITXDBGLYYSJNPK-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrachloro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

103
Patents

243.90163 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.90891 144.8
[M+Na]+ 266.89085 160.8
[M+NH4]+ 261.93545 154.1
[M+K]+ 282.86479 152.2
[M-H]- 242.89435 146.7
[M+Na-2H]- 264.87630 151.8
[M]+ 243.90108 148.9
[M]- 243.90218 148.9
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