CID 73983

Octachlorocamphene

Structural Information

Molecular Formula

C₁₀H₈Cl₈

SMILES

CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)C

InChI

InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3

InChIKey

LVJGHULVGIFLAE-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 392
Patents: 407.81342 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.820696	180.2
[M+Na]+	430.802638	187.5
[M-H]-	406.806144	172.9
[M+NH4]+	425.847243	197.8
[M+K]+	446.776578	182.7
[M+H-H2O]+	390.810680	180.8
[M+HCOO]-	452.811621	162.9
[M+CH3COO]-	466.827271	183.0
[M+Na-2H]-	428.788086	175.5
[M]+	407.81287142	169.7
[M]-	407.81396858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe