CID 247433

83850-00-4

Structural Information

Molecular Formula
C7HCl5O2
SMILES
C1(=C(C2(C(=C(C2(C1=O)Cl)Cl)Cl)Cl)O)Cl
InChI
InChI=1S/C7HCl5O2/c8-1-4(13)6(11)2(9)3(10)7(6,12)5(1)14/h13H
InChIKey
IINXNTXMSWMIMR-UHFFFAOYSA-N
Compound name
1,3,5,6,7-pentachloro-4-hydroxybicyclo[3.2.0]hepta-3,6-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

291.84192 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.84920 141.8
[M+Na]+ 314.83114 151.8
[M+NH4]+ 309.87574 148.8
[M+K]+ 330.80508 145.3
[M-H]- 290.83464 139.4
[M+Na-2H]- 312.81659 146.2
[M]+ 291.84137 143.0
[M]- 291.84247 143.0
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