CID 92170

Endodiol

Structural Information

Molecular Formula
C9H8Cl6O2
SMILES
C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
InChI
InChI=1S/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2
InChIKey
GTSJHTSVFKEASK-UHFFFAOYSA-N
Compound name
[1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

187
Patents

357.86554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.872816 169.8
[M+Na]+ 380.854758 180.0
[M-H]- 356.858264 164.7
[M+NH4]+ 375.899363 189.7
[M+K]+ 396.828698 173.3
[M+H-H2O]+ 340.862800 171.5
[M+HCOO]- 402.863741 159.3
[M+CH3COO]- 416.879391 176.7
[M+Na-2H]- 378.840206 167.8
[M]+ 357.86499142 166.8
[M]- 357.86608858 166.8
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