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

6
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

literature stripe

Patent stripe

patents stripe