CID 86700

Dibromochlordene

Structural Information

Molecular Formula
C10H6Br2Cl6
SMILES
C1C2C(C(C1Br)Br)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Br2Cl6/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2
InChIKey
RVVRZNVGDRBUJH-UHFFFAOYSA-N
Compound name
3,4-dibromo-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

493.69675 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.70403 181.5
[M+Na]+ 516.68597 196.9
[M-H]- 492.68947 183.8
[M+NH4]+ 511.73057 202.6
[M+K]+ 532.65991 180.2
[M+H-H2O]+ 476.69401 191.9
[M+HCOO]- 538.69495 172.4
[M+CH3COO]- 552.71060 190.5
[M+Na-2H]- 514.67142 180.4
[M]+ 493.69620 206.1
[M]- 493.69730 206.1
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

patents stripe