CID 98482

Heptachloronorbornene

Structural Information

Molecular Formula
C7H3Cl7
SMILES
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2
InChIKey
FCMVPUGRXPEIQX-UHFFFAOYSA-N
Compound name
1,2,3,4,5,7,7-heptachlorobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

331.80545 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.81273 175.5
[M+Na]+ 354.79467 184.1
[M-H]- 330.79817 169.4
[M+NH4]+ 349.83927 194.2
[M+K]+ 370.76861 179.0
[M+H-H2O]+ 314.80271 174.6
[M+HCOO]- 376.80365 162.1
[M+CH3COO]- 390.81930 180.5
[M+Na-2H]- 352.78012 171.3
[M]+ 331.80490 168.1
[M]- 331.80600 168.1
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