CID 210559

Phenol, 4,4'-(2,2,2-trichloroethylidene)bis(2-isopropyl-

Structural Information

Molecular Formula
C20H23Cl3O2
SMILES
CC(C)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)C(C)C)C(Cl)(Cl)Cl)O
InChI
InChI=1S/C20H23Cl3O2/c1-11(2)15-9-13(5-7-17(15)24)19(20(21,22)23)14-6-8-18(25)16(10-14)12(3)4/h5-12,19,24-25H,1-4H3
InChIKey
DSNFTANGKSCNGU-UHFFFAOYSA-N
Compound name
2-propan-2-yl-4-[2,2,2-trichloro-1-(4-hydroxy-3-propan-2-ylphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.07635 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08363 184.7
[M+Na]+ 423.06557 192.4
[M-H]- 399.06907 187.5
[M+NH4]+ 418.11017 196.8
[M+K]+ 439.03951 185.2
[M+H-H2O]+ 383.07361 180.8
[M+HCOO]- 445.07455 185.7
[M+CH3COO]- 459.09020 218.4
[M+Na-2H]- 421.05102 181.9
[M]+ 400.07580 188.7
[M]- 400.07690 188.7
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.