CID 95160

Benzene, 3-ethoxy-1,2,4,5-tetrachloro-

Structural Information

Molecular Formula
C8H6Cl4O
SMILES
CCOC1=C(C(=CC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl4O/c1-2-13-8-6(11)4(9)3-5(10)7(8)12/h3H,2H2,1H3
InChIKey
JNYKCZWIYVXSTN-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.91727 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92455 145.8
[M+Na]+ 280.90649 157.4
[M-H]- 256.90999 146.7
[M+NH4]+ 275.95109 164.2
[M+K]+ 296.88043 151.7
[M+H-H2O]+ 240.91453 143.8
[M+HCOO]- 302.91547 149.9
[M+CH3COO]- 316.93112 195.1
[M+Na-2H]- 278.89194 148.0
[M]+ 257.91672 149.8
[M]- 257.91782 149.8
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