CID 313270

9,10-bis-chloromethyl-1,2,3,4,5,6,7,8-octahydro-phenanthrene

Structural Information

Molecular Formula
C16H20Cl2
SMILES
C1CCC2=C(C(=C3CCCCC3=C2C1)CCl)CCl
InChI
InChI=1S/C16H20Cl2/c17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18/h1-10H2
InChIKey
HCZDUDHCWFXGAS-UHFFFAOYSA-N
Compound name
9,10-bis(chloromethyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.0942 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10148 163.8
[M+Na]+ 305.08342 170.9
[M-H]- 281.08692 166.9
[M+NH4]+ 300.12802 183.1
[M+K]+ 321.05736 163.4
[M+H-H2O]+ 265.09146 158.3
[M+HCOO]- 327.09240 170.2
[M+CH3COO]- 341.10805 174.0
[M+Na-2H]- 303.06887 166.7
[M]+ 282.09365 162.2
[M]- 282.09475 162.2
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