CID 23725107

Endosulfan monoaldehyde

Structural Information

Molecular Formula
C9H6Cl6O
SMILES
CC1C([C@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C=O
InChI
InChI=1S/C9H6Cl6O/c1-3-4(2-16)8(13)6(11)5(10)7(3,12)9(8,14)15/h2-4H,1H3/t3?,4?,7-,8+/m0/s1
InChIKey
PFIZWXXFGATIMO-LBUOVQDTSA-N
Compound name
(1R,4S)-1,4,5,6,7,7-hexachloro-3-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

339.85498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.86226 170.8
[M+Na]+ 362.84420 181.9
[M-H]- 338.84770 167.6
[M+NH4]+ 357.88880 192.2
[M+K]+ 378.81814 175.3
[M+H-H2O]+ 322.85224 171.2
[M+HCOO]- 384.85318 162.4
[M+CH3COO]- 398.86883 178.5
[M+Na-2H]- 360.82965 168.5
[M]+ 339.85443 168.6
[M]- 339.85553 168.6
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

No patent data available for this compound.