CID 75154

1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene

Structural Information

Molecular Formula
C7H6Cl4O2
SMILES
COC1(C(=C(C(=C1Cl)Cl)Cl)Cl)OC
InChI
InChI=1S/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3
InChIKey
UHSMEJQTFMHABA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

235
Patents

261.9122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.91948 145.8
[M+Na]+ 284.90142 158.3
[M-H]- 260.90492 147.3
[M+NH4]+ 279.94602 167.4
[M+K]+ 300.87536 153.1
[M+H-H2O]+ 244.90946 144.8
[M+HCOO]- 306.91040 151.0
[M+CH3COO]- 320.92605 193.8
[M+Na-2H]- 282.88687 147.6
[M]+ 261.91165 151.1
[M]- 261.91275 151.1
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