CID 25552

1-hydroxychlordene

Structural Information

Molecular Formula
C10H6Cl6O
SMILES
C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H
InChIKey
YQWCIPIEEBVRNY-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

351.85498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.86226 180.6
[M+Na]+ 374.84420 192.1
[M-H]- 350.84770 177.3
[M+NH4]+ 369.88880 203.0
[M+K]+ 390.81814 184.5
[M+H-H2O]+ 334.85224 180.4
[M+HCOO]- 396.85318 171.0
[M+CH3COO]- 410.86883 187.6
[M+Na-2H]- 372.82965 177.0
[M]+ 351.85443 177.8
[M]- 351.85553 177.8
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