CID 6475606

(1s,2s,4s)-2,4-dichloro-1-((e)-2-chloro-vinyl)-1-methyl-5-methylene-cyclohexane

Structural Information

Molecular Formula
C10H13Cl3
SMILES
C[C@]1(CC(=C)[C@H](C[C@@H]1Cl)Cl)/C=C/Cl
InChI
InChI=1S/C10H13Cl3/c1-7-6-10(2,3-4-11)9(13)5-8(7)12/h3-4,8-9H,1,5-6H2,2H3/b4-3+/t8-,9-,10+/m0/s1
InChIKey
UIGKAXNXTQIYIW-ZSRXNTIOSA-N
Compound name
(1S,2S,4S)-2,4-dichloro-1-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.00829 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01557 147.1
[M+Na]+ 260.99751 156.2
[M-H]- 237.00101 148.7
[M+NH4]+ 256.04211 168.3
[M+K]+ 276.97145 149.3
[M+H-H2O]+ 221.00555 145.3
[M+HCOO]- 283.00649 152.4
[M+CH3COO]- 297.02214 190.1
[M+Na-2H]- 258.98296 148.6
[M]+ 238.00774 145.6
[M]- 238.00884 145.6
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

No patent data available for this compound.