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 185.5
[M+Na]+ 385.14602 192.4
[M-H]- 361.14952 191.2
[M+NH4]+ 380.19062 200.0
[M+K]+ 401.11996 185.4
[M+H-H2O]+ 345.15406 179.6
[M+HCOO]- 407.15500 192.6
[M+CH3COO]- 421.17065 217.2
[M+Na-2H]- 383.13147 186.0
[M]+ 362.15625 189.6
[M]- 362.15735 189.6
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.