CID 5746106

Brn 4144770

Structural Information

Molecular Formula
C22H28Cl2
SMILES
CC(C)(C)[C@H](C1=CC=C(C=C1)Cl)[C@H](C2=CC=C(C=C2)Cl)C(C)(C)C
InChI
InChI=1S/C22H28Cl2/c1-21(2,3)19(15-7-11-17(23)12-8-15)20(22(4,5)6)16-9-13-18(24)14-10-16/h7-14,19-20H,1-6H3/t19-,20+
InChIKey
FWTZHPAVTJRYGP-BGYRXZFFSA-N
Compound name
1-chloro-4-[(3R,4S)-4-(4-chlorophenyl)-2,2,5,5-tetramethylhexan-3-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1568 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16408 192.6
[M+Na]+ 385.14602 207.6
[M+NH4]+ 380.19062 201.6
[M+K]+ 401.11996 198.6
[M-H]- 361.14952 196.7
[M+Na-2H]- 383.13147 200.6
[M]+ 362.15625 197.0
[M]- 362.15735 197.0
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.