CID 102851

Dihydroheptachlor

Structural Information

Molecular Formula
C10H7Cl7
SMILES
C1CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h3-5H,1-2H2
InChIKey
DRKYTUDHOKREMS-UHFFFAOYSA-N
Compound name
1,3,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

371.83673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.84401 194.0
[M+Na]+ 394.82595 202.8
[M-H]- 370.82945 188.5
[M+NH4]+ 389.87055 213.4
[M+K]+ 410.79989 196.6
[M+H-H2O]+ 354.83399 192.2
[M+HCOO]- 416.83493 179.1
[M+CH3COO]- 430.85058 198.0
[M+Na-2H]- 392.81140 186.7
[M]+ 371.83618 186.4
[M]- 371.83728 186.4
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