CID 17357

1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C9H6Cl8
SMILES
C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CCl)Cl
InChI
InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2
InChIKey
FUZORIOHZSVKAW-UHFFFAOYSA-N
Compound name
1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4687
Patents

393.79776 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.80504 194.1
[M+Na]+ 416.78698 200.4
[M-H]- 392.79048 185.4
[M+NH4]+ 411.83158 208.6
[M+K]+ 432.76092 196.5
[M+H-H2O]+ 376.79502 192.6
[M+HCOO]- 438.79596 175.9
[M+CH3COO]- 452.81161 195.8
[M+Na-2H]- 414.77243 186.1
[M]+ 393.79721 183.8
[M]- 393.79831 183.8
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