CID 12767891

Beta-dihydroheptachlor

Structural Information

Molecular Formula
C10H7Cl7
SMILES
C1[C@@H]2[C@H](CC1Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+
InChIKey
CLTVIMPCWMHKFX-QTXMIJDDSA-N
Compound name
(1S,2S,6R,7R)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.83673 Da
Monoisotopic Mass

5.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.