CID 45577

Ethane, 2,2-bis(5,6,7,8-tetrahydronaphthyl)-1,1,1-trichloro-

Structural Information

Molecular Formula
C22H23Cl3
SMILES
C1CCC2=C(C1)C=CC=C2C(C3=CC=CC4=C3CCCC4)C(Cl)(Cl)Cl
InChI
InChI=1S/C22H23Cl3/c23-22(24,25)21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14,21H,1-4,7-8,11-12H2
InChIKey
IUORRZGMWWQCRF-UHFFFAOYSA-N
Compound name
5-[2,2,2-trichloro-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.08655 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09383 192.1
[M+Na]+ 415.07577 208.2
[M+NH4]+ 410.12037 203.3
[M+K]+ 431.04971 196.4
[M-H]- 391.07927 198.1
[M+Na-2H]- 413.06122 199.5
[M]+ 392.08600 197.4
[M]- 392.08710 197.4
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.