CID 40774

2,3,5,6-tetrachloroanisole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

243.90163 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.90891 141.3
[M+Na]+ 266.89085 153.3
[M-H]- 242.89435 142.4
[M+NH4]+ 261.93545 160.2
[M+K]+ 282.86479 147.9
[M+H-H2O]+ 226.89889 139.5
[M+HCOO]- 288.89983 145.7
[M+CH3COO]- 302.91548 192.4
[M+Na-2H]- 264.87630 144.0
[M]+ 243.90108 145.0
[M]- 243.90218 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

literature stripe

Patent stripe

patents stripe