CID 23620157

1,2,3,4,5,5,6-heptachlorobicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H3Cl7
SMILES
C1C2(C(C(C1(C(=C2Cl)Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2
InChIKey
YGCGNMLFVCPMEZ-UHFFFAOYSA-N
Compound name
1,2,3,4,5,5,6-heptachlorobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.80545 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.812726 175.5
[M+Na]+ 354.794668 184.1
[M-H]- 330.798174 169.4
[M+NH4]+ 349.839273 194.2
[M+K]+ 370.768608 179.0
[M+H-H2O]+ 314.802710 174.6
[M+HCOO]- 376.803651 162.1
[M+CH3COO]- 390.819301 180.5
[M+Na-2H]- 352.780116 171.3
[M]+ 331.80490142 168.1
[M]- 331.80599858 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